 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_M11_def2SVPD.in
 Output=26_junionone_conformer12_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-2897.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2898.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer12_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               6.8 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.59D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              11.5 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               6.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.237487868973    
 DIIS: error= 4.11D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.237487868973     IErMin= 1 ErrMin= 4.11D-03
 ErrMax= 4.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-02 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.11D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.90D-03 MaxDP=5.96D-01              OVMax= 2.51D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.43D-03    CP:  1.13D+00
 E= -465.255908128738     Delta-E=       -0.018420259765 Rises=F Damp=F
 DIIS: error= 1.25D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.255908128738     IErMin= 2 ErrMin= 1.25D-03
 ErrMax= 1.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-04 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.25D-02
 Coeff-Com: -0.298D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.294D-01 0.103D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.89D-03 MaxDP=1.43D-01 DE=-1.84D-02 OVMax= 1.14D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.76D-04    CP:  1.18D+00  1.16D+00
 E= -465.256435224251     Delta-E=       -0.000527095513 Rises=F Damp=F
 DIIS: error= 1.53D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.256435224251     IErMin= 2 ErrMin= 1.25D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.91D-04 BMatP= 7.66D-04
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com: -0.659D-01 0.543D+00 0.522D+00
 Coeff-En:   0.000D+00 0.149D+00 0.851D+00
 Coeff:     -0.648D-01 0.537D+00 0.527D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=2.31D-04 MaxDP=1.62D-02 DE=-5.27D-04 OVMax= 5.96D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.59D-04    CP:  1.18D+00  1.18D+00  1.04D+00
 E= -465.256978195774     Delta-E=       -0.000542971523 Rises=F Damp=F
 DIIS: error= 2.18D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.256978195774     IErMin= 4 ErrMin= 2.18D-04
 ErrMax= 2.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-05 BMatP= 7.66D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.18D-03
 Coeff-Com: -0.149D-01 0.377D-01 0.160D+00 0.817D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.149D-01 0.376D-01 0.160D+00 0.817D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=8.41D-05 MaxDP=3.47D-03 DE=-5.43D-04 OVMax= 1.50D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.77D-05    CP:  1.18D+00  1.18D+00  1.07D+00  1.03D+00
 E= -465.257006450095     Delta-E=       -0.000028254321 Rises=F Damp=F
 DIIS: error= 5.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.257006450095     IErMin= 5 ErrMin= 5.49D-05
 ErrMax= 5.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-06 BMatP= 2.84D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.316D-02-0.488D-01-0.170D-01 0.235D+00 0.827D+00
 Coeff:      0.316D-02-0.488D-01-0.170D-01 0.235D+00 0.827D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=3.06D-05 MaxDP=1.37D-03 DE=-2.83D-05 OVMax= 5.80D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.12D-05    CP:  1.18D+00  1.18D+00  1.09D+00  1.07D+00  1.00D+00
 E= -465.257009637685     Delta-E=       -0.000003187589 Rises=F Damp=F
 DIIS: error= 1.30D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.257009637685     IErMin= 6 ErrMin= 1.30D-05
 ErrMax= 1.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-08 BMatP= 2.37D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-02-0.993D-02-0.948D-02 0.492D-02 0.131D+00 0.883D+00
 Coeff:      0.119D-02-0.993D-02-0.948D-02 0.492D-02 0.131D+00 0.883D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=7.19D-06 MaxDP=3.03D-04 DE=-3.19D-06 OVMax= 2.80D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.06D-06    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.04D+00
                    CP:  1.09D+00
 E= -465.257009812324     Delta-E=       -0.000000174639 Rises=F Damp=F
 DIIS: error= 5.49D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.257009812324     IErMin= 7 ErrMin= 5.49D-06
 ErrMax= 5.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-08 BMatP= 8.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-03 0.166D-02-0.172D-02-0.280D-01-0.525D-01 0.395D+00
 Coeff-Com:  0.686D+00
 Coeff:      0.116D-03 0.166D-02-0.172D-02-0.280D-01-0.525D-01 0.395D+00
 Coeff:      0.686D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=3.28D-06 MaxDP=1.88D-04 DE=-1.75D-07 OVMax= 7.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.56D-06    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.05D+00
                    CP:  1.16D+00  1.06D+00
 E= -465.257009864601     Delta-E=       -0.000000052277 Rises=F Damp=F
 DIIS: error= 1.38D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.257009864601     IErMin= 8 ErrMin= 1.38D-06
 ErrMax= 1.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-09 BMatP= 3.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-03 0.180D-02 0.149D-02-0.580D-02-0.311D-01-0.592D-01
 Coeff-Com:  0.584D-01 0.103D+01
 Coeff:     -0.154D-03 0.180D-02 0.149D-02-0.580D-02-0.311D-01-0.592D-01
 Coeff:      0.584D-01 0.103D+01
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=1.40D-06 MaxDP=8.65D-05 DE=-5.23D-08 OVMax= 6.13D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.36D-07    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.05D+00
                    CP:  1.18D+00  1.20D+00  1.24D+00
 E= -465.257009870649     Delta-E=       -0.000000006048 Rises=F Damp=F
 DIIS: error= 5.02D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.257009870649     IErMin= 9 ErrMin= 5.02D-07
 ErrMax= 5.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-10 BMatP= 1.62D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.449D-04 0.301D-03 0.581D-03 0.608D-03-0.329D-02-0.381D-01
 Coeff-Com: -0.575D-01 0.267D+00 0.831D+00
 Coeff:     -0.449D-04 0.301D-03 0.581D-03 0.608D-03-0.329D-02-0.381D-01
 Coeff:     -0.575D-01 0.267D+00 0.831D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=4.31D-07 MaxDP=4.08D-05 DE=-6.05D-09 OVMax= 1.28D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.42D-07    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.05D+00
                    CP:  1.18D+00  1.22D+00  1.34D+00  1.12D+00
 E= -465.257009871175     Delta-E=       -0.000000000526 Rises=F Damp=F
 DIIS: error= 2.01D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.257009871175     IErMin=10 ErrMin= 2.01D-07
 ErrMax= 2.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-11 BMatP= 3.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-04-0.240D-03-0.685D-04 0.109D-02 0.458D-02 0.325D-02
 Coeff-Com: -0.342D-01-0.946D-01 0.184D+00 0.936D+00
 Coeff:      0.141D-04-0.240D-03-0.685D-04 0.109D-02 0.458D-02 0.325D-02
 Coeff:     -0.342D-01-0.946D-01 0.184D+00 0.936D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=2.07D-07 MaxDP=2.12D-05 DE=-5.26D-10 OVMax= 6.53D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.01D-07    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.05D+00
                    CP:  1.18D+00  1.23D+00  1.39D+00  1.23D+00  1.19D+00
 E= -465.257009871295     Delta-E=       -0.000000000120 Rises=F Damp=F
 DIIS: error= 6.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.257009871295     IErMin=11 ErrMin= 6.32D-08
 ErrMax= 6.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-12 BMatP= 4.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.648D-05-0.671D-04-0.556D-04 0.113D-03 0.107D-02 0.448D-02
 Coeff-Com: -0.351D-02-0.350D-01-0.600D-01 0.163D+00 0.930D+00
 Coeff:      0.648D-05-0.671D-04-0.556D-04 0.113D-03 0.107D-02 0.448D-02
 Coeff:     -0.351D-02-0.350D-01-0.600D-01 0.163D+00 0.930D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=5.75D-08 MaxDP=3.66D-06 DE=-1.20D-10 OVMax= 1.69D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.05D-08    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.05D+00
                    CP:  1.18D+00  1.23D+00  1.40D+00  1.26D+00  1.29D+00
                    CP:  1.21D+00
 E= -465.257009871268     Delta-E=        0.000000000028 Rises=F Damp=F
 DIIS: error= 1.44D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.257009871295     IErMin=12 ErrMin= 1.44D-08
 ErrMax= 1.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-13 BMatP= 3.92D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.479D-06 0.158D-04 0.247D-06-0.118D-03-0.343D-03 0.719D-03
 Coeff-Com:  0.281D-02 0.686D-02-0.391D-01-0.773D-01 0.205D+00 0.902D+00
 Coeff:     -0.479D-06 0.158D-04 0.247D-06-0.118D-03-0.343D-03 0.719D-03
 Coeff:      0.281D-02 0.686D-02-0.391D-01-0.773D-01 0.205D+00 0.902D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=2.10D-08 MaxDP=1.01D-06 DE= 2.75D-11 OVMax= 4.85D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.11D-09    CP:  1.18D+00  1.18D+00  1.09D+00  1.08D+00  1.05D+00
                    CP:  1.18D+00  1.23D+00  1.40D+00  1.26D+00  1.32D+00
                    CP:  1.34D+00  1.14D+00
 E= -465.257009871251     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 5.60D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -465.257009871295     IErMin=13 ErrMin= 5.60D-09
 ErrMax= 5.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-14 BMatP= 3.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.655D-06 0.962D-05 0.585D-05-0.440D-04-0.170D-03-0.177D-03
 Coeff-Com:  0.841D-03 0.474D-02-0.578D-02-0.315D-01-0.280D-01 0.223D+00
 Coeff-Com:  0.837D+00
 Coeff:     -0.655D-06 0.962D-05 0.585D-05-0.440D-04-0.170D-03-0.177D-03
 Coeff:      0.841D-03 0.474D-02-0.578D-02-0.315D-01-0.280D-01 0.223D+00
 Coeff:      0.837D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=5.47D-09 MaxDP=3.81D-07 DE= 1.64D-11 OVMax= 1.11D-07

 SCF Done:  E(RM11) =  -465.257009871     A.U. after   13 cycles
            NFock= 13  Conv=0.55D-08     -V/T= 2.0124
 KE= 4.595488088784D+02 PE=-2.297533424452D+03 EE= 7.625332249346D+02
 Leave Link  502 at Fri Aug 13 10:53:42 2021, MaxMem=  5368709120 cpu:            3111.4 elap:             389.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.63660027D+02

 Leave Link  801 at Fri Aug 13 10:53:43 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8187 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 4.41D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.45D-01 5.64D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.45D-02 6.23D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 4.09D-03 1.73D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 3.16D-04 4.26D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.44D-05 8.94D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 6.32D-07 1.73D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.22D-08 2.83D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 6.57D-10 5.12D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.55D-11 7.67D-07.
     10 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 3.06D-13 8.46D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 8.62D-15 1.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.24D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168124D+03
      2  0.714698D+01  0.109136D+03
      3  0.577565D+01  0.410718D+01  0.111578D+03
 Isotropic polarizability for W=    0.085645      129.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.634846D+02 -0.444677D+02 -0.261320D+02
      2   0.555667D+02  0.389660D+02 -0.167174D+01
      3   0.791792D+01  0.550174D+01  0.278037D+02
      4  -0.436692D+02  0.968781D+02 -0.402371D+02
      5  -0.240183D+02 -0.449481D+02  0.259950D+02
      6  -0.243895D+02  0.129273D+02 -0.105232D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.861721D+01  0.884808D+01 -0.316954D+01
      2   0.102334D+02 -0.105788D+02  0.176883D+02
      3   0.300282D+02 -0.430580D+02  0.180617D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.471090D+01  0.145991D+02  0.160249D+02
      2  -0.211363D+01 -0.158476D+02  0.180771D+02
      3   0.798575D+00 -0.413114D+02  0.205585D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.256375D+01 -0.320969D+01 -0.461174D+01
      2  -0.320969D+01  0.760343D+00  0.343814D+01
      3  -0.461174D+01  0.343814D+01 -0.445835D+01
 OR G Eigenvalues:    -7.1768    -1.6716     7.7142  Iso=     0.3781
 Eigenvectors:
   (1)   0.344977  -0.252131   0.904113
   (2)   0.599945   0.800020  -0.005815
   (3)   0.721843  -0.544424  -0.427253
 w=    0.085645 a.u., Optical Rotation Beta=      0.3781 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      117.79 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.81D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.44D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 8.36D-02 5.11D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.67D-03 1.63D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 6.27D-05 1.05D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.29D-06 1.59D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.79D-08 1.66D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.02D-10 1.51D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.95D-12 1.37D-07.
     20 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.78D-14 1.05D-08.
      2 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 3.26D-15 4.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.66D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.66D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168124D+03  0.714698D+01  0.577565D+01
      2   0.714698D+01  0.109136D+03  0.410718D+01
      3   0.577565D+01  0.410718D+01  0.111578D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.861721D+01  0.884808D+01 -0.316954D+01
      2   0.102334D+02 -0.105788D+02  0.176883D+02
      3   0.300282D+02 -0.430580D+02  0.180617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.634846D+02 -0.444677D+02 -0.261320D+02
      2   0.555667D+02  0.389660D+02 -0.167174D+01
      3   0.791792D+01  0.550174D+01  0.278037D+02
      4  -0.436692D+02  0.968781D+02 -0.402371D+02
      5  -0.240183D+02 -0.449481D+02  0.259950D+02
      6  -0.243895D+02  0.129273D+02 -0.105232D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.215911D+01  0.154060D+01 -0.435560D+01  0.932490D+00  0.953275D+00
      2   0.154060D+01  0.896095D+00  0.377939D+01  0.953275D+00  0.302702D+01
      3  -0.435560D+01  0.377939D+01 -0.703304D+00  0.377657D+01  0.147319D+01
                 6             7             8             9            10 
      1   0.377657D+01 -0.477541D+01  0.385063D+01 -0.389985D+00  0.180175D+02
      2   0.147319D+01  0.385063D+01  0.189205D+01 -0.375889D+00 -0.254308D+01
      3  -0.949911D+00 -0.389985D+00 -0.375889D+00 -0.180993D+01  0.534788D+01
                11            12            13            14            15 
      1  -0.254308D+01  0.534788D+01 -0.563026D+01  0.117843D+01 -0.419494D+01
      2  -0.219887D+00 -0.355172D+01  0.117843D+01 -0.461110D+01 -0.216468D+01
      3  -0.355172D+01  0.323693D+00 -0.419494D+01 -0.216468D+01  0.176841D+00
                16            17            18            19            20 
      1   0.160968D+02 -0.443207D+01  0.188645D+01 -0.390950D+02 -0.186679D+01
      2  -0.443207D+01 -0.224758D+01  0.827296D-01 -0.186679D+01 -0.390265D+01
      3   0.188645D+01  0.827296D-01  0.963173D+00 -0.491466D+01  0.105520D+01
                21            22            23            24            25 
      1  -0.491466D+01  0.347911D+01 -0.854101D+01  0.280642D+01 -0.726369D+01
      2   0.105520D+01 -0.854101D+01 -0.216462D+01 -0.765926D+00  0.241738D+01
      3  -0.700426D+00  0.280642D+01 -0.765926D+00  0.288722D+01 -0.115183D+01
                26            27            28            29            30 
      1   0.241738D+01 -0.115183D+01  0.583215D+02  0.607312D+01  0.573009D+01
      2  -0.633478D+00  0.277714D+01  0.607312D+01  0.367841D+01 -0.183221D+00
      3   0.277714D+01  0.355610D+01  0.573009D+01 -0.183221D+00  0.217477D+01
                31            32            33            34            35 
      1   0.123086D+02  0.711618D+01 -0.544709D+00  0.974081D+01 -0.517158D-01
      2   0.711618D+01  0.391834D+01 -0.522282D-01 -0.517158D-01  0.746646D+00
      3  -0.544709D+00 -0.522282D-01 -0.174063D+01  0.385542D+01 -0.188410D+01
                36            37            38            39            40 
      1   0.385542D+01 -0.579741D+02 -0.801612D+01 -0.674983D+01 -0.125895D+02
      2  -0.188410D+01 -0.801612D+01 -0.309380D+01  0.179615D-01 -0.551055D+01
      3  -0.217247D+01 -0.674983D+01  0.179615D-01 -0.103683D+01  0.147863D-01
                41            42            43            44            45 
      1  -0.551055D+01  0.147863D-01 -0.800041D+01  0.227084D+00 -0.312365D+01
      2  -0.292324D+01 -0.229660D+00  0.227084D+00 -0.877766D+00  0.249591D+01
      3  -0.229660D+00  0.269063D+01 -0.312365D+01  0.249591D+01  0.253378D+01
                46            47            48            49            50 
      1   0.419955D+02  0.795739D+01  0.651843D+01  0.910336D+01  0.227495D+01
      2   0.795739D+01  0.128331D+01  0.149582D+01  0.227495D+01  0.979116D+00
      3   0.651843D+01  0.149582D+01  0.942035D+00  0.224272D+01  0.217569D+00
                51            52            53            54            55 
      1   0.224272D+01  0.352959D+01  0.166153D+01  0.232620D+01 -0.338163D+02
      2   0.217569D+00  0.166153D+01  0.593206D+00 -0.757365D+00 -0.608653D+01
      3  -0.880356D+00  0.232620D+01 -0.757365D+00 -0.168784D+01 -0.601714D+01
                56            57            58            59            60 
      1  -0.608653D+01 -0.601714D+01 -0.127408D+02 -0.643429D+01 -0.168488D+01
      2  -0.245581D+01 -0.116635D+01 -0.643429D+01 -0.405793D+01 -0.220837D+01
      3  -0.116635D+01 -0.272294D+01 -0.168488D+01 -0.220837D+01 -0.886550D+00
                61            62            63            64            65 
      1  -0.181963D+02 -0.312645D+01 -0.618618D+01 -0.627595D+01  0.141139D+01
      2  -0.312645D+01 -0.159844D+01 -0.166182D+01  0.141139D+01  0.596048D+00
      3  -0.618618D+01 -0.166182D+01 -0.467143D+01 -0.326872D+01  0.394129D+01
                66            67            68            69            70 
      1  -0.326872D+01  0.137993D+01 -0.390949D+00  0.388867D+01 -0.687898D+01
      2   0.394129D+01 -0.390949D+00  0.262406D+01  0.322578D+01  0.397937D+01
      3  -0.978221D-01  0.388867D+01  0.322578D+01 -0.110936D+01 -0.128329D+01
                71            72            73            74            75 
      1   0.397937D+01 -0.128329D+01 -0.618047D+01 -0.175113D+01 -0.139735D+01
      2   0.303426D+01 -0.518179D+00 -0.175113D+01  0.155458D+01 -0.323355D+00
      3  -0.518179D+00  0.149737D+01 -0.139735D+01 -0.323355D+00  0.277801D+01
                76            77            78            79            80 
      1  -0.190353D+01  0.250877D+01 -0.680591D+00  0.512858D-01 -0.227375D+00
      2   0.250877D+01  0.570823D+01  0.248546D+01 -0.227375D+00  0.194002D+01
      3  -0.680591D+00  0.248546D+01 -0.189403D+01  0.265761D+01 -0.224587D+01
                81            82            83            84            85 
      1   0.265761D+01  0.576125D+01  0.230383D+01  0.104259D+01  0.527961D+01
      2  -0.224587D+01  0.230383D+01  0.458424D+01  0.265295D+01  0.645943D+01
      3  -0.263553D+01  0.104259D+01  0.265295D+01 -0.323368D+01  0.174367D+01
                86            87            88            89            90 
      1   0.645943D+01  0.174367D+01  0.681174D+01  0.473105D+01 -0.345097D+01
      2  -0.114049D+01  0.242867D+00  0.473105D+01  0.492222D+00 -0.603418D-01
      3   0.242867D+00 -0.498199D-01 -0.345097D+01 -0.603418D-01  0.455723D+00
                91            92            93            94            95 
      1   0.856466D+01  0.966584D+00 -0.289879D+01  0.222858D+01 -0.146543D+01
      2   0.966584D+00 -0.221032D+01  0.298883D-01 -0.146543D+01 -0.401160D+01
      3  -0.289879D+01  0.298883D-01 -0.246995D+01 -0.457270D+00 -0.133198D+01
                96            97            98            99           100 
      1  -0.457270D+00 -0.521268D+00 -0.249777D+00 -0.303959D+01  0.111898D+02
      2  -0.133198D+01 -0.249777D+00 -0.700703D+00  0.199961D+01  0.256951D+01
      3   0.229455D+01 -0.303959D+01  0.199961D+01  0.525207D+00  0.228760D+01
               101           102           103           104           105 
      1   0.256951D+01  0.228760D+01  0.128864D+01  0.160193D+01  0.284731D+00
      2   0.197308D+01  0.598240D+00  0.160193D+01  0.703183D+00  0.236495D+00
      3   0.598240D+00  0.135969D+01  0.284731D+00  0.236495D+00  0.412889D+00
               106           107           108           109           110 
      1   0.746318D+00  0.255208D+00  0.125933D+01 -0.408714D+00  0.565073D+00
      2   0.255208D+00 -0.123873D+00  0.692679D+00  0.565073D+00 -0.943753D+00
      3   0.125933D+01  0.692679D+00  0.108442D+01  0.113842D+01 -0.362427D+00
               111           112           113           114           115 
      1   0.113842D+01  0.234149D+00 -0.240938D+00  0.178801D-01  0.961502D+00
      2  -0.362427D+00 -0.240938D+00  0.748167D+00  0.114974D+01  0.156170D-01
      3  -0.196283D+01  0.178801D-01  0.114974D+01  0.154577D+01 -0.258528D+00
               116           117           118           119           120 
      1   0.156170D-01 -0.258528D+00 -0.442845D+00 -0.552763D+00 -0.835529D+00
      2   0.186974D+01  0.212555D+01 -0.552763D+00  0.316010D+00 -0.145004D+00
      3   0.212555D+01  0.753917D+01 -0.835529D+00 -0.145004D+00 -0.139517D+00
               121           122           123           124           125 
      1  -0.187366D+01  0.458440D+00 -0.534991D-01 -0.970614D+00  0.663515D-01
      2   0.458440D+00 -0.786349D+00 -0.124517D+01  0.663515D-01 -0.123224D+01
      3  -0.534991D-01 -0.124517D+01 -0.162698D+01  0.436573D+00 -0.113600D+01
               126           127           128           129           130 
      1   0.436573D+00 -0.205704D+01  0.182108D+01 -0.903449D-01  0.484221D+00
      2  -0.113600D+01  0.182108D+01 -0.398613D+01 -0.292642D+00 -0.202135D+01
      3  -0.692836D+01 -0.903449D-01 -0.292642D+00 -0.261927D+00 -0.277718D+00
               131           132           133           134           135 
      1  -0.202135D+01 -0.277718D+00  0.186123D+00 -0.609310D+00  0.163461D+00
      2   0.824508D+01  0.138075D+00 -0.609310D+00  0.134651D+01  0.124252D+01
      3   0.138075D+00  0.892573D+00  0.163461D+00  0.124252D+01  0.294320D+00
               136           137           138           139           140 
      1   0.317270D+01  0.158461D+01 -0.206490D+01 -0.135384D+00  0.852745D+00
      2   0.158461D+01  0.140838D+01 -0.140784D+01  0.852745D+00  0.232442D+01
      3  -0.206490D+01 -0.140784D+01  0.247133D+01 -0.108093D+01 -0.160069D+01
               141           142           143           144           145 
      1  -0.108093D+01 -0.414000D+01 -0.232095D+01  0.287634D+01  0.538264D+01
      2  -0.160069D+01 -0.232095D+01 -0.272671D+01  0.240113D+01 -0.237221D+01
      3   0.128200D+01  0.287634D+01  0.240113D+01 -0.466996D+01  0.323660D+01
               146           147           148           149           150 
      1  -0.237221D+01  0.323660D+01 -0.138920D+01  0.162273D+01 -0.135663D+01
      2   0.236575D+01 -0.211396D+01  0.162273D+01 -0.244317D+01  0.146415D+01
      3  -0.211396D+01  0.316226D+01 -0.135663D+01  0.146415D+01 -0.120665D+01
               151           152           153           154           155 
      1   0.235429D+01 -0.165203D+01  0.248023D+01 -0.144262D+01 -0.154507D+01
      2  -0.165203D+01  0.136784D+01 -0.189869D+01 -0.154507D+01 -0.238734D+01
      3   0.248023D+01 -0.189869D+01  0.390864D+01  0.105326D+00 -0.410771D+00
               156           157           158           159           160 
      1   0.105326D+00 -0.120823D+01 -0.149012D+01 -0.411859D+00 -0.461300D+00
      2  -0.410771D+00 -0.149012D+01 -0.670983D+01 -0.518351D+00 -0.693519D+00
      3  -0.536260D+00 -0.411859D+00 -0.518351D+00 -0.110688D+01 -0.379625D+00
               161           162           163           164           165 
      1  -0.693519D+00 -0.379625D+00 -0.366709D+01  0.697097D+00  0.213224D+01
      2  -0.240712D+01 -0.872057D+00  0.697097D+00 -0.107194D+01 -0.341537D+00
      3  -0.872057D+00 -0.908276D+00  0.213224D+01 -0.341537D+00 -0.226672D+01
               166           167           168           169           170 
      1   0.161611D+01 -0.104617D+01 -0.738913D+00  0.191252D+01 -0.623009D+00
      2  -0.104617D+01  0.770096D+00  0.387449D+00 -0.623009D+00  0.638452D+00
      3  -0.738913D+00  0.387449D+00  0.140914D+01 -0.201941D+01  0.336283D+00
               171           172           173           174           175 
      1  -0.201941D+01 -0.450224D+00 -0.795403D+00 -0.111210D+00 -0.136414D+01
      2   0.336283D+00 -0.795403D+00 -0.184817D+01 -0.115525D+01  0.336954D+00
      3   0.416366D+01 -0.111210D+00 -0.115525D+01 -0.102064D+01 -0.108937D+00
               176           177           178           179           180 
      1   0.336954D+00 -0.108937D+00 -0.129817D+00 -0.215827D+00  0.257388D+00
      2  -0.607846D+01 -0.285330D+01 -0.215827D+00 -0.272283D+01 -0.213043D+01
      3  -0.285330D+01 -0.208020D+01  0.257388D+00 -0.213043D+01 -0.266805D+01
               181           182           183           184           185 
      1   0.856429D+01 -0.290625D+01  0.171422D+01 -0.225793D+01  0.216937D+01
      2  -0.290625D+01  0.173913D+01 -0.841772D+00  0.216937D+01 -0.194846D+01
      3   0.171422D+01 -0.841772D+00  0.138133D+01 -0.783040D+00  0.250629D+00
               186           187           188           189           190 
      1  -0.783040D+00  0.495819D+01 -0.177817D+01  0.182250D+01  0.281092D+01
      2   0.250629D+00 -0.177817D+01  0.106819D+01 -0.663195D+00  0.799350D+00
      3  -0.402577D+00  0.182250D+01 -0.663195D+00  0.160322D+01 -0.136457D+01
               191           192           193           194           195 
      1   0.799350D+00 -0.136457D+01  0.200107D+01  0.817172D+00 -0.170656D+01
      2   0.583823D+00 -0.962492D+00  0.817172D+00  0.213363D+01 -0.173849D+01
      3  -0.962492D+00  0.151795D+01 -0.170656D+01 -0.173849D+01  0.234035D+01
               196           197           198           199           200 
      1  -0.173460D+01 -0.102084D+01  0.244184D+01  0.136491D+01  0.787823D+00
      2  -0.102084D+01 -0.177048D+01  0.144688D+01  0.787823D+00  0.482290D-01
      3   0.244184D+01  0.144688D+01 -0.447689D+01  0.121273D+01 -0.107378D+00
               201           202           203           204           205 
      1   0.121273D+01  0.138477D+01 -0.898166D+00  0.196618D+00  0.157957D+01
      2  -0.107378D+00 -0.898166D+00  0.659184D+00  0.105321D+01  0.321209D+00
      3  -0.448681D+00  0.196618D+00  0.105321D+01  0.157840D+01 -0.340069D+00
               206           207           208           209           210 
      1   0.321209D+00 -0.340069D+00 -0.931887D+00 -0.569472D+00 -0.101032D+01
      2   0.141490D+01  0.153210D+01 -0.569472D+00 -0.372578D-01 -0.240632D-02
      3   0.153210D+01  0.437621D+01 -0.101032D+01 -0.240632D-02  0.150391D+00
               211           212           213           214           215 
      1  -0.818915D+00  0.122992D+00 -0.366893D+00 -0.149267D+01 -0.267354D+00
      2   0.122992D+00 -0.119159D+01 -0.140734D+01 -0.267354D+00 -0.161724D+01
      3  -0.366893D+00 -0.140734D+01 -0.233773D+01 -0.258448D+00 -0.204391D+01
               216           217           218           219           220 
      1  -0.258448D+00 -0.911549D+00  0.759245D+00  0.307362D+00  0.196645D+01
      2  -0.204391D+01  0.759245D+00  0.109757D+01  0.257479D+00 -0.862842D-01
      3  -0.674579D+01  0.307362D+00  0.257479D+00  0.932504D+00 -0.645044D+00
               221           222           223           224           225 
      1  -0.862842D-01 -0.645044D+00  0.939125D+00  0.979587D-01  0.221753D+00
      2   0.718291D+01  0.160686D+01  0.979587D-01  0.536947D+00  0.851298D+00
      3   0.160686D+01  0.170958D+01  0.221753D+00  0.851298D+00  0.698959D+00
               226           227           228           229           230 
      1   0.539787D+00 -0.100280D+01  0.113986D+01 -0.126605D+01  0.704867D+00
      2  -0.100280D+01  0.111692D+01 -0.390993D+00  0.704867D+00 -0.119155D+01
      3   0.113986D+01 -0.390993D+00  0.245376D+01 -0.105928D+00  0.163105D+01
               231           232           233           234           235 
      1  -0.105928D+00  0.252701D+01 -0.386202D+00  0.749328D+00 -0.987257D+01
      2   0.163105D+01 -0.386202D+00  0.142028D+01 -0.147103D+01  0.170940D+00
      3  -0.244302D+01  0.749328D+00 -0.147103D+01  0.496951D+01  0.316563D+01
               236           237           238           239           240 
      1   0.170940D+00  0.316563D+01 -0.509448D+00 -0.105298D+01  0.226274D+00
      2  -0.108452D+01 -0.690935D-01 -0.105298D+01  0.234960D+00  0.553669D+00
      3  -0.690935D-01 -0.204621D+01  0.226274D+00  0.553669D+00 -0.505244D+00
               241           242           243 
      1   0.217012D+01  0.312192D-01 -0.155285D+01
      2   0.312192D-01  0.297182D+00 -0.264957D+00
      3  -0.155285D+01 -0.264957D+00  0.120504D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.610730D+01  0.930998D+01  0.558097D+01  0.884445D+01  0.945463D+01
      2  -0.802197D+01  0.215903D+01  0.798043D+01  0.611368D+01  0.480025D+00
      3  -0.272521D+01 -0.792681D+01  0.213020D+01 -0.576640D+00 -0.668990D+01
                 6             7             8             9            10 
      1  -0.226045D+01  0.571268D+01  0.494356D+01 -0.529599D+01  0.458683D+01
      2  -0.722455D+01  0.343717D+01 -0.733645D+01 -0.248500D+01  0.177792D+02
      3  -0.951849D+01  0.108269D+01 -0.107411D+02  0.884510D+00  0.913624D+01
                11            12            13            14            15 
      1  -0.532121D+01  0.794917D-01 -0.655661D+01 -0.615243D+01 -0.565469D+01
      2  -0.832891D+01  0.500620D+01 -0.106125D+02 -0.338637D+01  0.700787D+00
      3  -0.200633D+01  0.765574D+01  0.784334D+01  0.124778D+02  0.958462D+01
                16            17            18            19            20 
      1   0.124197D+01  0.413093D+01 -0.322228D+00  0.203625D+01  0.319868D+01
      2   0.318342D+01  0.155046D+01  0.296639D+01 -0.265437D+02 -0.145200D+01
      3   0.939857D+01  0.102142D+02 -0.853842D+00 -0.153871D+02 -0.436769D+01
                21            22            23            24            25 
      1  -0.142363D+01  0.599577D+01  0.353130D+01 -0.285655D+01 -0.310265D+01
      2  -0.204094D+00  0.126819D+00 -0.703892D+01  0.420361D+01 -0.157209D+02
      3  -0.336997D+01  0.695495D+01 -0.552084D+01  0.274555D+01 -0.282400D+01
                26            27            28            29            30 
      1   0.442668D+01 -0.413297D+01 -0.818046D+01  0.475148D+00 -0.408828D+00
      2   0.234283D+01 -0.279080D+00  0.292870D+02  0.556421D+01 -0.545400D+00
      3  -0.103227D+00 -0.172634D+01  0.163673D+02  0.789976D+01 -0.124978D+00
                31            32            33            34            35 
      1   0.567727D+01 -0.122929D+01 -0.302258D+01 -0.250015D+01  0.174610D+01
      2   0.123300D+02  0.340743D+01  0.167560D+00 -0.196040D+02 -0.164327D+01
      3   0.341775D+02  0.890236D+01  0.250784D+01 -0.554370D+00 -0.218161D+00
                36            37            38            39            40 
      1   0.350485D+01  0.818095D+01 -0.155413D+01  0.988101D+00 -0.706024D+01
      2   0.650029D-01 -0.209733D+02 -0.514628D+01  0.369984D+01 -0.119473D+02
      3   0.173854D+00 -0.226675D+02 -0.118895D+02 -0.908965D+00 -0.376771D+01
                41            42            43            44            45 
      1   0.313926D+00 -0.681436D+00  0.747210D+01  0.226638D+01 -0.706165D+00
      2  -0.376384D+01 -0.445122D+01 -0.132373D+02 -0.595296D+01 -0.112399D+02
      3  -0.360256D+01  0.197900D+01  0.155571D+01  0.260681D+01  0.333962D+01
                46            47            48            49            50 
      1  -0.687279D+01  0.884140D+01 -0.499948D+00  0.493219D+01 -0.678432D+01
      2   0.590801D+01  0.607982D+01 -0.612861D+01  0.350250D+01 -0.249154D+00
      3   0.140873D+02  0.163252D+02  0.341747D+00  0.238513D+02  0.614493D+01
                51            52            53            54            55 
      1  -0.141896D+02  0.668561D-01 -0.309841D+01  0.983147D+01  0.384632D+01
      2  -0.321343D+01 -0.184303D+02 -0.768602D+00  0.485990D+01 -0.447330D+01
      3  -0.276623D+01 -0.664171D+00  0.198369D+01  0.124866D+00 -0.112614D+02
                56            57            58            59            60 
      1  -0.215355D+01 -0.884959D+00  0.204864D+01  0.297270D+01  0.771552D+00
      2  -0.146744D+01  0.160552D+02 -0.383530D+01  0.272779D+01  0.714672D+01
      3  -0.186952D+02 -0.217881D+01 -0.136399D+02 -0.139545D+02 -0.427483D+01
                61            62            63            64            65 
      1   0.115657D+01  0.380740D+01 -0.326889D+01 -0.434127D+01  0.490558D+01
      2   0.377260D+01  0.292670D+01  0.145042D+02 -0.152319D+02  0.148211D+02
      3  -0.538295D+01 -0.100216D+02 -0.459115D+01  0.797270D+00 -0.591817D+01
                66            67            68            69            70 
      1  -0.502135D+01  0.710316D+01  0.203047D+01 -0.730322D+01 -0.723503D+01
      2  -0.135517D+01  0.138146D+02  0.114728D+02  0.292854D+00 -0.128420D+02
      3  -0.103519D+02  0.444307D+01 -0.990790D+01 -0.170909D+02 -0.110017D+02
                71            72            73            74            75 
      1  -0.102650D+01  0.378543D+01 -0.143723D+01  0.490456D+01 -0.561513D+01
      2   0.296778D+01  0.572225D+01  0.651029D+01  0.228208D+01  0.133367D+02
      3  -0.159002D+02  0.333541D+01 -0.263920D+01 -0.121449D+02  0.213362D+00
                76            77            78            79            80 
      1   0.198460D+01  0.282649D+01  0.446705D+01 -0.438482D+01  0.932579D+01
      2   0.458990D+00  0.390406D+01 -0.574231D+01  0.516589D+01 -0.740588D+01
      3  -0.589296D+01 -0.135451D+02 -0.931996D+01  0.165732D+01 -0.811825D+01
                81            82            83            84            85 
      1   0.488224D+00 -0.326030D+01 -0.118806D+02  0.815550D+01 -0.128927D+02
      2  -0.111634D+02  0.582881D+01  0.509841D+01 -0.292072D+01  0.745766D+01
      3   0.118734D+02  0.362271D+00 -0.944879D+01 -0.393896D+01  0.338531D+01
                86            87            88            89            90 
      1   0.901063D+00 -0.409084D+01  0.815547D+01  0.267789D+01 -0.526691D-02
      2   0.595404D+01  0.162371D+01 -0.436882D+01  0.324349D+01 -0.224974D+01
      3   0.153061D+02  0.542899D+01 -0.121846D+01  0.988277D+01 -0.986128D+01
                91            92            93            94            95 
      1   0.249962D+01 -0.615392D+01  0.312833D+01  0.149866D+01 -0.653633D+01
      2   0.233396D+01 -0.161524D+01  0.175207D+02 -0.183697D+00  0.914339D+01
      3   0.660960D+01 -0.104750D+02 -0.142474D+01 -0.117888D+01 -0.153741D+02
                96            97            98            99           100 
      1  -0.907453D+01 -0.465707D+00  0.326016D+01  0.337191D+01 -0.855889D+00
      2  -0.987094D+01  0.951117D+01 -0.714932D+01  0.179699D+01 -0.450289D+01
      3  -0.518183D+01 -0.109758D+01 -0.525597D+00  0.531931D+01  0.741414D+01
               101           102           103           104           105 
      1   0.177189D+01 -0.184152D+01  0.600441D+00  0.231693D-01 -0.148626D+01
      2  -0.434156D+00  0.468507D+01 -0.608274D+00 -0.683885D+00  0.124226D+01
      3  -0.588781D+01  0.110216D+01 -0.926054D+00 -0.827860D-01  0.319079D+00
               106           107           108           109           110 
      1  -0.118733D+01 -0.913679D-01 -0.754182D+00 -0.985803D+00 -0.160908D+01
      2   0.149591D+01  0.153383D+01  0.231265D+01  0.509539D+01 -0.146895D+01
      3   0.376742D+00  0.442887D+00 -0.431241D+00 -0.270282D+01  0.236383D+01
               111           112           113           114           115 
      1   0.252909D+01 -0.682536D+00 -0.866422D+00 -0.186556D+01  0.696992D+00
      2  -0.616371D+01 -0.718710D+00  0.376298D+01  0.410274D+01 -0.547644D+01
      3   0.242145D+01  0.265685D+01 -0.179057D+01 -0.284230D+01  0.204192D+01
               116           117           118           119           120 
      1   0.174577D+01 -0.783573D+01  0.969896D+00  0.277824D+00  0.962898D-01
      2   0.551477D+01  0.210355D+02 -0.220571D+01 -0.805864D+00  0.522431D-02
      3  -0.423417D+01 -0.620680D+01  0.514971D+00 -0.112013D+01 -0.255511D+00
               121           122           123           124           125 
      1   0.921604D+00  0.220481D+01  0.956150D+00 -0.297862D+00  0.452786D+01
      2  -0.196772D+01 -0.604887D+00 -0.176374D+01 -0.396169D+01 -0.947186D+00
      3   0.169986D+01  0.456393D+00  0.864488D+00 -0.807442D-01  0.533664D+00
               126           127           128           129           130 
      1   0.324672D+01 -0.619685D+00  0.330981D+01  0.191529D+01  0.191528D+01
      2  -0.609924D+01 -0.137363D+01  0.381807D+00  0.451689D+00 -0.394211D+00
      3   0.142485D+01 -0.954369D+01  0.965232D+01  0.449355D+00  0.939246D+01
               131           132           133           134           135 
      1  -0.521412D+01 -0.467814D+01  0.772393D-01 -0.243320D+01 -0.171889D+01
      2  -0.124178D+01  0.354197D+00 -0.797801D+00  0.153455D+01  0.604754D+00
      3  -0.182889D+02 -0.644623D+00  0.199019D+01 -0.384499D+01 -0.187719D+01
               136           137           138           139           140 
      1   0.338328D+01  0.161435D+01 -0.550307D+01  0.175507D+01  0.174058D+01
      2  -0.472416D+00 -0.137763D+01  0.433663D+01 -0.171297D+01 -0.225997D+01
      3   0.423120D+01 -0.140692D+01 -0.159243D+01  0.420360D+00 -0.326227D+01
               141           142           143           144           145 
      1  -0.255957D+01 -0.546873D+01 -0.972575D+00  0.958225D+01  0.178199D+01
      2   0.207086D+01  0.181008D+00  0.272969D+01 -0.643669D+01 -0.317202D+01
      3   0.569752D+00 -0.378482D+01  0.136061D+01  0.139507D+01 -0.445195D+01
               146           147           148           149           150 
      1   0.694627D+00  0.287038D+01  0.863335D-03 -0.132955D+01 -0.138592D+01
      2  -0.660554D+00  0.284247D+01  0.151344D+01  0.331939D+00 -0.938042D-01
      3  -0.238077D+01 -0.854154D+00  0.157679D+01  0.237241D+01  0.700686D-01
               151           152           153           154           155 
      1   0.154783D+01  0.414313D+00  0.435538D+01 -0.232034D+01 -0.454502D+01
      2  -0.213305D+01 -0.507232D+00  0.375109D+01  0.257521D+01  0.189118D+01
      3  -0.268921D+01 -0.157418D+00 -0.710307D+00  0.750933D+01  0.570825D+01
               156           157           158           159           160 
      1  -0.292921D+01 -0.328174D+01 -0.106680D+02 -0.519136D+01 -0.213886D+01
      2   0.189111D+00  0.137148D+01  0.270704D+01  0.171103D-01 -0.108242D+01
      3   0.846198D+00  0.722295D+01  0.137189D+02  0.150713D+01  0.316463D+01
               161           162           163           164           165 
      1  -0.350036D+01 -0.398843D+01  0.651318D+01 -0.449072D+01 -0.436360D+01
      2   0.250086D+00 -0.268136D+00  0.127193D+02 -0.243898D+01 -0.558745D+01
      3   0.531277D+01  0.233962D+01  0.608720D+01 -0.104713D+01 -0.338993D+01
               166           167           168           169           170 
      1  -0.445262D+01  0.335905D+01  0.168562D+01 -0.493112D+01  0.364588D+01
      2  -0.540912D+01  0.255982D+01  0.305931D+01 -0.877142D+01  0.189009D+01
      3   0.479252D+00  0.676306D+00  0.107341D+01 -0.327559D+01  0.163448D+01
               171           172           173           174           175 
      1   0.715377D+01  0.532430D+00  0.538732D+00 -0.891902D+00  0.114852D-01
      2   0.880538D+01 -0.204586D+01 -0.461482D+01 -0.258203D+01 -0.272083D+01
      3   0.341066D+01  0.478766D+01  0.612802D+01  0.397028D+01  0.316656D+01
               176           177           178           179           180 
      1   0.232812D+01 -0.249021D+01  0.603236D+00  0.123288D+01 -0.261535D+01
      2  -0.100576D+02 -0.719913D+01 -0.107597D+01 -0.747498D+01 -0.840159D+01
      3   0.198932D+02  0.991397D+01  0.214183D+01  0.987167D+01  0.711092D+01
               181           182           183           184           185 
      1   0.464493D+01 -0.207356D+01  0.337035D+01 -0.265043D+01  0.145759D+01
      2   0.117261D+02 -0.521601D+01  0.892056D+01 -0.447940D+01  0.224592D+01
      3  -0.804590D+00 -0.514207D+01  0.911705D+00 -0.279141D+01  0.480200D+01
               186           187           188           189           190 
      1  -0.175941D+01  0.296826D+01 -0.262244D+00  0.290428D+01 -0.250073D+01
      2  -0.291125D+01  0.758128D+01 -0.315182D+01  0.784419D+01 -0.187366D+01
      3   0.188114D+00  0.147005D+01 -0.264736D+01  0.233217D+00 -0.446810D+01
               191           192           193           194           195 
      1  -0.232811D+01  0.261380D+01 -0.239094D+01 -0.615637D+01  0.365781D+01
      2  -0.243419D+01  0.497482D+01 -0.274344D+01 -0.541959D+01  0.700129D+01
      3  -0.392648D+01  0.470737D+01 -0.305525D+01 -0.934309D+01  0.740194D+01
               196           197           198           199           200 
      1   0.366301D+01  0.607507D+01 -0.623847D+01 -0.523799D-01 -0.381603D+00
      2   0.422668D+01  0.420604D+01 -0.130920D+02 -0.136964D+00  0.214504D+00
      3   0.472871D+01  0.801002D+01 -0.708364D+01  0.808184D+00  0.563958D+00
               201           202           203           204           205 
      1   0.351408D+00 -0.392168D+01 -0.458838D+00 -0.208270D+01  0.146204D+01
      2  -0.102961D+00 -0.131799D+01 -0.132183D+01 -0.770139D+00 -0.334348D+01
      3   0.748936D+00  0.295990D+01 -0.215077D-01  0.136010D+00  0.167128D+01
               206           207           208           209           210 
      1   0.185502D+01 -0.351945D+01  0.783799D+00 -0.337108D+00 -0.577781D-01
      2  -0.515300D-01 -0.260257D+01  0.116680D+01 -0.271184D+00 -0.795157D-01
      3   0.831361D+00  0.419895D-01 -0.168210D+01 -0.441639D+00 -0.248190D+00
               211           212           213           214           215 
      1  -0.157706D+01  0.140783D+01  0.111856D-02  0.538710D+00  0.386116D+01
      2  -0.721936D-01  0.283942D+01  0.422625D+01 -0.357902D+01  0.356870D+01
      3   0.351884D+01 -0.189639D+01 -0.257543D+01 -0.477443D+00 -0.320319D+01
               216           217           218           219           220 
      1  -0.158050D+00  0.329448D+00  0.240466D+01  0.419480D+00 -0.692093D-01
      2   0.117249D+02 -0.165355D+01 -0.254386D+01 -0.288941D+01 -0.718018D+00
      3  -0.423162D+01  0.290321D+01  0.425109D+01  0.127415D+01  0.252688D+01
               221           222           223           224           225 
      1   0.119879D+02  0.114805D+01  0.153297D+01  0.692541D+00  0.605782D+00
      2  -0.676465D+01 -0.445225D+01 -0.125456D+01 -0.281678D+01 -0.316556D+01
      3   0.251866D+02  0.540585D+01  0.147068D+01  0.151633D+01  0.287386D+01
               226           227           228           229           230 
      1  -0.123418D+01  0.242056D+01 -0.336926D+01  0.295672D+00 -0.327773D+01
      2  -0.760971D+01  0.352823D+01 -0.110595D+02  0.289116D+01 -0.774611D+01
      3  -0.286283D+01  0.253204D+01 -0.132855D+01  0.225954D+01 -0.344897D+01
               231           232           233           234           235 
      1   0.419771D+01 -0.225755D+01  0.399462D+01 -0.541405D+01 -0.132058D+01
      2   0.969718D+01 -0.760006D+01  0.624752D+01 -0.192130D+02  0.224269D+01
      3   0.587335D+01 -0.105229D+01  0.407987D+01 -0.469890D+01 -0.399310D+01
               236           237           238           239           240 
      1  -0.183924D+01  0.711697D+00 -0.931662D+00  0.788954D-01 -0.429740D-01
      2   0.310520D+00  0.540481D+01 -0.138643D+00 -0.998050D+00  0.178632D+01
      3  -0.576969D+01  0.113953D+01 -0.262137D+01  0.364210D+00  0.152950D+01
               241           242           243 
      1   0.647677D+00  0.132525D+01 -0.801091D+00
      2   0.638631D+00  0.112767D+01 -0.218123D+01
      3   0.135303D+01  0.143428D+01 -0.160882D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.820203D+01  0.417294D+01 -0.583561D+01  0.178744D+01  0.640338D+01
      2   0.290528D+01 -0.179114D+02 -0.576362D+01 -0.139487D+02 -0.168461D+02
      3  -0.111073D+02  0.137384D+02  0.115992D+02  0.121612D+02  0.104428D+02
      4   0.110743D+02 -0.464959D+01  0.220930D+02 -0.231398D+01  0.543486D+01
      5  -0.173512D+02  0.177084D+02 -0.141381D+02  0.168872D+02  0.468121D+01
      6   0.131952D+02 -0.120355D+02  0.119597D+02 -0.828274D+01 -0.365881D+01
                 6             7             8             9            10 
      1   0.193852D+02 -0.627163D+01  0.199916D+02 -0.181505D+01 -0.213406D+01
      2  -0.129181D+02 -0.722318D+01 -0.160635D+02  0.750647D+01  0.651343D+01
      3  -0.646715D+01  0.134948D+02 -0.392811D+01 -0.569142D+01 -0.437937D+01
      4  -0.566230D+01  0.228573D+02 -0.786695D+01  0.372898D+01 -0.147061D+02
      5   0.656190D+01 -0.133623D+02  0.872080D+01 -0.739376D+01  0.104901D+02
      6   0.416643D+01  0.101475D+02  0.343030D+01  0.123842D+01 -0.111016D+02
                11            12            13            14            15 
      1  -0.211016D+01  0.784172D+01 -0.510967D+01 -0.898866D+01 -0.188713D+02
      2   0.372632D+01  0.556154D+00  0.331378D+01  0.109762D+02  0.682592D+01
      3  -0.161615D+01 -0.839788D+01  0.179589D+01 -0.198755D+01  0.120453D+02
      4  -0.109486D+01 -0.199381D+02  0.285861D+01 -0.256556D+02 -0.507014D+01
      5  -0.159808D+02 -0.338351D+01 -0.165654D+02 -0.152962D+02  0.180852D+01
      6   0.714997D+01 -0.389841D+01 -0.134297D+01 -0.203345D+01 -0.642200D+01
                16            17            18            19            20 
      1   0.647966D+01 -0.189177D+02 -0.282091D+01  0.397804D+02  0.100850D+02
      2   0.623743D+01  0.937965D+01 -0.254379D+01 -0.384110D+02 -0.134670D+02
      3  -0.127171D+02  0.953808D+01  0.536470D+01 -0.136946D+01  0.338205D+01
      4  -0.293982D+02 -0.204441D+01 -0.658546D+00  0.918959D+01 -0.989037D+01
      5  -0.603637D+01  0.919181D+00  0.176833D+01  0.166039D+02  0.496377D+01
      6  -0.423903D+01 -0.432540D+01  0.121132D+01  0.980345D+01 -0.212561D+00
                21            22            23            24            25 
      1   0.352674D+01  0.182518D+02  0.668864D+01  0.712780D+01 -0.339787D+00
      2  -0.370694D+01 -0.181337D+02 -0.123607D+02  0.242354D+01 -0.455211D+01
      3   0.180193D+00 -0.118044D+00  0.567204D+01 -0.955134D+01  0.489190D+01
      4   0.579462D+01 -0.307934D+02 -0.597235D+01 -0.394419D+01  0.131808D+02
      5   0.467922D+01  0.489664D+01  0.509246D+01  0.354321D+01  0.241237D+01
      6   0.315585D+01  0.750507D+01  0.632467D+01  0.727197D+00  0.286106D+01
                26            27            28            29            30 
      1   0.794266D+01  0.133595D+02 -0.121575D+03 -0.126119D+02 -0.662830D+01
      2  -0.569926D+00  0.614124D+01  0.827283D+02  0.822389D+01  0.656515D+01
      3  -0.737273D+01 -0.195007D+02  0.388464D+02  0.438800D+01  0.631546D-01
      4  -0.408920D+01  0.853756D+01 -0.147682D+02 -0.964684D+01 -0.242225D+00
      5   0.467474D+01  0.510753D+01 -0.375466D+02 -0.259065D+01 -0.122466D+02
      6  -0.476637D+00 -0.202502D+01 -0.172270D+02 -0.526205D+01 -0.479665D+00
                31            32            33            34            35 
      1  -0.351537D+02 -0.247890D+02  0.269547D+01 -0.311060D+02 -0.241117D+00
      2   0.254693D+02  0.220143D+02 -0.229856D+01  0.182848D+02 -0.202375D+01
      3   0.968438D+01  0.277475D+01 -0.396912D+00  0.128212D+02  0.226486D+01
      4  -0.962278D+01 -0.104986D+02  0.191114D+01 -0.704765D+01  0.113176D+01
      5  -0.102676D+02 -0.434360D+01  0.682225D-01 -0.117742D+02  0.203255D+01
      6  -0.515912D+01 -0.900215D+01  0.384993D+01 -0.216525D+01  0.927859D+00
                36            37            38            39            40 
      1  -0.107298D+02  0.176443D+03  0.283450D+02  0.196679D+02  0.303976D+02
      2   0.214771D+01 -0.108184D+03 -0.173710D+02 -0.134618D+02 -0.156099D+02
      3   0.858210D+01 -0.682592D+02 -0.109740D+02 -0.620611D+01 -0.147877D+02
      4   0.107281D+01  0.326939D+02  0.178935D+02  0.312548D+00  0.315967D+02
      5   0.191541D+01  0.579658D+02  0.467960D+01  0.135017D+02  0.405274D+01
      6  -0.494716D+01  0.191157D+02  0.576308D+01  0.717781D+00  0.100520D+02
                41            42            43            44            45 
      1   0.637780D+01  0.839292D+01  0.827516D+01  0.746302D+01  0.122694D+02
      2   0.130475D+01  0.191202D+01 -0.111652D+02 -0.236723D+01 -0.198824D+01
      3  -0.768255D+01 -0.103049D+02  0.289001D+01 -0.509579D+01 -0.102812D+02
      4   0.759372D+01  0.278843D+01 -0.807064D+01 -0.229491D+01 -0.908187D+01
      5   0.291817D+01 -0.104374D+02  0.153110D+02 -0.803304D+01 -0.105510D+02
      6   0.134799D+01  0.412338D+01  0.359921D-01  0.168874D+01 -0.891888D+01
                46            47            48            49            50 
      1  -0.169028D+03 -0.302595D+02 -0.355019D+02 -0.476965D+02 -0.172962D+02
      2   0.939530D+02  0.136613D+02  0.194872D+02  0.249673D+02  0.113862D+02
      3   0.750747D+02  0.165981D+02  0.160147D+02  0.227293D+02  0.591003D+01
      4  -0.515911D+02 -0.269242D+02 -0.990535D+01 -0.127585D+02 -0.106481D+02
      5  -0.727493D+02 -0.139423D+02 -0.274257D+02 -0.256422D+02 -0.299378D+01
      6  -0.188248D+02 -0.316946D+01 -0.540136D+01  0.742313D-02 -0.581422D+01
                51            52            53            54            55 
      1  -0.111645D+02 -0.359091D+02 -0.100966D+02 -0.179419D+02  0.178849D+03
      2   0.844819D+01  0.119208D+02 -0.333839D+00  0.135420D+02 -0.938949D+02
      3   0.271627D+01  0.239883D+02  0.104304D+02  0.439994D+01 -0.849545D+02
      4  -0.139101D+01 -0.182137D+02 -0.173284D+01  0.271179D+01  0.456059D+02
      5   0.117612D+01 -0.234952D+02  0.340525D+01  0.110053D+02  0.689932D+02
      6   0.163986D+01  0.291698D+01 -0.389537D+01 -0.334452D+01  0.100422D+02
                56            57            58            59            60 
      1   0.305077D+02  0.384098D+02  0.538828D+02  0.279116D+02  0.618429D+01
      2  -0.114193D+02 -0.241004D+02 -0.233490D+02 -0.574945D+01 -0.145277D+01
      3  -0.190885D+02 -0.143094D+02 -0.305337D+02 -0.221622D+02 -0.473152D+01
      4   0.342746D+02  0.989467D+01  0.534868D+02  0.344545D+02  0.173928D+02
      5   0.119502D+02  0.391950D+02  0.203130D+02  0.189881D+02  0.106275D+02
      6   0.597399D+01  0.422623D+01  0.104374D+02  0.846261D+01  0.974569D+01
                61            62            63            64            65 
      1   0.810251D+02  0.112013D+02  0.281547D+02 -0.278316D+02  0.157409D+02
      2  -0.498032D+02 -0.443111D+01 -0.252372D+02  0.863490D+01 -0.524280D+01
      3  -0.312219D+02 -0.677021D+01 -0.291749D+01  0.191967D+02 -0.104981D+02
      4   0.218852D+02  0.147869D+02  0.123575D+02  0.161844D+02 -0.874306D+00
      5   0.654132D+02  0.144245D+02  0.429326D+02 -0.190807D+02  0.236344D+02
      6   0.101177D+02  0.103387D+02  0.519655D+01  0.102305D+02 -0.109142D+02
                66            67            68            69            70 
      1  -0.150914D+02  0.959065D+01  0.101699D+02  0.323207D+02 -0.237473D+02
      2  -0.967980D+00  0.931951D+00 -0.641516D+01 -0.248596D+02  0.120952D+01
      3   0.160594D+02 -0.105226D+02 -0.375471D+01 -0.746114D+01  0.225377D+02
      4   0.285030D+02 -0.585186D+01  0.102139D+02  0.106138D+02  0.340602D+02
      5  -0.572564D+00  0.240736D+02  0.157417D+02 -0.120549D+02 -0.376893D+01
      6  -0.461703D+01 -0.687377D+01 -0.116727D+02 -0.652667D+01 -0.310845D+01
                71            72            73            74            75 
      1   0.339201D+02 -0.498332D+01 -0.450281D+02 -0.160183D+02 -0.128824D+02
      2  -0.252859D+02  0.586983D+01  0.186967D+02  0.727855D+01 -0.223342D+01
      3  -0.863414D+01 -0.886504D+00  0.263314D+02  0.873978D+01  0.151158D+02
      4   0.777789D+01 -0.487968D+01 -0.220685D+02  0.109802D+00 -0.287166D+01
      5  -0.919654D+01  0.968559D+01 -0.146403D+02 -0.338581D+01  0.988512D+01
      6  -0.682423D+01  0.247467D+00 -0.274960D+01 -0.186639D+01  0.839756D+01
                76            77            78            79            80 
      1  -0.141425D+02  0.785421D+01 -0.299777D+01 -0.406190D+01 -0.118261D+01
      2   0.106071D+02 -0.905820D+00  0.104424D+02 -0.513366D+01  0.718250D+01
      3   0.353544D+01 -0.694839D+01 -0.744463D+01  0.919556D+01 -0.599989D+01
      4   0.936611D+01  0.284473D+02  0.103982D+02 -0.906470D-01  0.331313D+01
      5  -0.463551D+01  0.175335D+02 -0.838664D+01  0.126764D+02 -0.779762D+01
      6   0.348798D+01  0.104880D+02 -0.155634D+01  0.719189D+01 -0.370436D+01
                81            82            83            84            85 
      1   0.224459D+02 -0.788344D+01 -0.117369D+02 -0.835645D+01 -0.147732D+02
      2  -0.493016D+01  0.132954D+02  0.275898D+02  0.101514D+02  0.265406D+02
      3  -0.175157D+02 -0.541195D+01 -0.158529D+02 -0.179499D+01 -0.117673D+02
      4  -0.360951D+01  0.627908D+01  0.919876D+01  0.933782D+01  0.195352D+02
      5  -0.762155D+01  0.122265D+01  0.919835D+01 -0.167628D+02  0.642641D+01
      6  -0.968671D+01  0.697564D+00  0.857311D+01 -0.150213D+02  0.172448D+01
                86            87            88            89            90 
      1   0.113151D+02  0.660519D+01 -0.225739D+02  0.758321D+01 -0.117045D+02
      2  -0.116869D+02 -0.591720D+01  0.232297D+02 -0.560220D+01  0.851053D+01
      3   0.371800D+00 -0.687986D+00 -0.655782D+00 -0.198101D+01  0.319392D+01
      4   0.117669D+02  0.513958D+01  0.154007D+02  0.115785D+02 -0.989106D+01
      5  -0.344485D+01 -0.113727D+01 -0.238104D+02 -0.580043D+01  0.601550D+01
      6  -0.539287D+01 -0.168140D+01 -0.187301D+02 -0.339634D+01  0.623379D+01
                91            92            93            94            95 
      1  -0.546957D+02 -0.344947D+01  0.323192D+02 -0.110206D+02  0.237204D+02
      2   0.339806D+02 -0.361158D+01 -0.968034D+01  0.334412D+01 -0.185456D+02
      3   0.207151D+02  0.706105D+01 -0.226389D+02  0.767646D+01 -0.517482D+01
      4  -0.213447D+01  0.149745D+02  0.338851D-01  0.104275D+02  0.235566D+02
      5   0.301696D+02  0.192024D+01  0.835491D+01  0.579906D+01  0.384708D+01
      6   0.201499D+01 -0.701879D+01  0.129769D+01 -0.466283D+01 -0.102748D+02
                96            97            98            99           100 
      1  -0.287883D+01  0.184642D+02 -0.475197D+01  0.159734D+02  0.816553D+02
      2  -0.942263D+01 -0.322373D+01 -0.317064D+01 -0.797516D+01 -0.393330D+02
      3   0.123015D+02 -0.152404D+02  0.792261D+01 -0.799822D+01 -0.423223D+02
      4   0.670878D+01  0.262250D+01  0.225818D+01 -0.127668D+02  0.356762D+02
      5  -0.122873D+02  0.142778D+02 -0.109380D+02 -0.100095D+02  0.246720D+02
      6  -0.390109D+01 -0.784388D+00  0.119412D+01  0.101985D+02  0.755035D+01
               101           102           103           104           105 
      1   0.152422D+02  0.132146D+02  0.738748D+01  0.836809D+01  0.111061D+01
      2  -0.399205D+01 -0.791100D+01 -0.215338D+00 -0.346186D+00 -0.109031D+01
      3  -0.112501D+02 -0.530356D+01 -0.717215D+01 -0.802190D+01 -0.203053D-01
      4   0.198533D+02  0.751587D+01  0.165040D+02  0.811305D+01  0.279393D+01
      5   0.628376D+01  0.138384D+02  0.325864D+01  0.235012D+01  0.269556D+01
      6   0.427194D+01  0.395902D+01  0.331075D+01  0.693619D+00  0.289716D+01
               106           107           108           109           110 
      1   0.438568D+01  0.116632D+01  0.603150D+01 -0.162896D+00  0.587624D+01
      2  -0.369084D+01 -0.243200D+01 -0.513901D+01 -0.223613D+01 -0.349966D+01
      3  -0.694843D+00  0.126568D+01 -0.892491D+00  0.239903D+01 -0.237659D+01
      4   0.296155D+01  0.307119D+00  0.580641D+01  0.206960D+01 -0.155953D+01
      5   0.125427D+02  0.460406D+01  0.726978D+01  0.326526D+01  0.250885D+00
      6   0.349441D+01  0.276973D+01  0.345906D+01  0.403178D+01 -0.315612D+01
               111           112           113           114           115 
      1   0.107904D+02  0.270504D+01 -0.791899D+01 -0.524307D+01  0.706303D+01
      2  -0.427683D+00 -0.200670D+01  0.328780D+01  0.199976D+01 -0.307021D+01
      3  -0.103627D+02 -0.698340D+00  0.463119D+01  0.324330D+01 -0.399283D+01
      4   0.156334D+01  0.133108D+01  0.171732D+01  0.426409D+01  0.322276D+01
      5  -0.305274D+01  0.137090D+01  0.311474D+01  0.593686D+01  0.433280D+01
      6  -0.585183D+01 -0.945381D+00  0.621986D+01  0.107779D+02  0.201330D+00
               116           117           118           119           120 
      1  -0.745234D+01 -0.239206D+02  0.173047D+00 -0.504914D+00 -0.228487D+01
      2   0.133094D+01 -0.865491D+01 -0.423453D+01  0.152409D+00  0.107791D+00
      3   0.612140D+01  0.325755D+02  0.406148D+01  0.352505D+00  0.217708D+01
      4   0.780380D+01  0.764005D+01 -0.170229D+01  0.271850D+01  0.221385D+00
      5   0.896824D+01  0.290783D+02 -0.974561D+00  0.128060D+01  0.616818D+01
      6   0.114188D+02  0.222719D+02  0.145159D+01  0.188455D+00 -0.194794D-01
               121           122           123           124           125 
      1   0.362226D+00 -0.640498D+01 -0.511496D+01 -0.142723D+01 -0.279972D+01
      2  -0.230831D+00  0.159303D+01 -0.224070D+01  0.162490D+01 -0.243882D+01
      3  -0.131394D+00  0.481195D+01  0.735567D+01 -0.197670D+00  0.523854D+01
      4   0.249626D+01 -0.242319D+01 -0.242157D+01 -0.546829D-01 -0.279056D+01
      5   0.202307D+01 -0.253342D+01 -0.314073D+01  0.525467D+01 -0.252906D+01
      6  -0.385999D+00  0.239357D+01  0.677206D+01 -0.687998D+00  0.558875D+01
               126           127           128           129           130 
      1  -0.240136D+02 -0.850666D+01  0.184616D+02  0.778390D+00  0.109288D+02
      2  -0.125632D+02  0.111061D+02 -0.260763D+02 -0.158390D+01 -0.141632D+02
      3   0.365768D+02 -0.259946D+01  0.761471D+01  0.805511D+00  0.323433D+01
      4  -0.431750D+01 -0.511082D+01  0.296382D+01 -0.717146D+00  0.548559D+01
      5  -0.122934D+02  0.368050D+00 -0.112255D+01  0.165131D+01 -0.814944D+00
      6   0.211400D+01  0.202931D+00 -0.141474D+00 -0.190062D+01  0.183343D+00
               131           132           133           134           135 
      1  -0.355870D+02 -0.795712D+00  0.381372D+01 -0.571003D+01 -0.455970D+01
      2   0.549298D+02  0.210672D+01 -0.361564D+01  0.901322D+01  0.572628D+01
      3  -0.193428D+02 -0.131101D+01 -0.198086D+00 -0.330319D+01 -0.116658D+01
      4   0.835469D+01 -0.266077D+00  0.251361D+00  0.109049D+01  0.214431D+01
      5   0.507281D+00  0.222589D+01  0.335134D+01  0.288358D+01  0.381043D-01
      6  -0.411393D+00  0.708649D+01  0.427349D+00  0.884581D+01  0.165752D+01
               136           137           138           139           140 
      1   0.114523D+02  0.181838D+01 -0.263618D+01  0.283148D+01 -0.558146D+01
      2  -0.503038D+01  0.124566D+01  0.970425D+00 -0.334975D+00  0.938393D+01
      3  -0.642196D+01 -0.306404D+01  0.166575D+01 -0.249651D+01 -0.380248D+01
      4   0.173274D+02  0.133186D+02 -0.114036D+02  0.994874D+01  0.120160D+02
      5  -0.173055D+02 -0.960430D+01  0.173282D+02 -0.580594D+01 -0.917126D+01
      6  -0.106107D+02 -0.865752D+01  0.117311D+02 -0.667033D+01 -0.105783D+02
               141           142           143           144           145 
      1   0.274876D+01  0.225941D-01  0.586150D+01 -0.566789D+01  0.152373D+02
      2  -0.440716D+01 -0.567205D+00 -0.657773D+01 -0.268452D+01 -0.105749D+02
      3   0.165840D+01  0.544611D+00  0.716233D+00  0.835241D+01 -0.466239D+01
      4  -0.949855D+01 -0.160486D+02 -0.149979D+02  0.152812D+02 -0.246472D+02
      5   0.769329D+01  0.205371D+02  0.137724D+02 -0.255108D+02  0.269061D+02
      6   0.976030D+01  0.150800D+02  0.161816D+02 -0.229250D+02 -0.133134D+02
               146           147           148           149           150 
      1  -0.138658D+01  0.260721D+01 -0.815295D+00 -0.301041D+01  0.155184D+01
      2  -0.774400D+00 -0.602956D+01 -0.100803D+01  0.686487D+01 -0.142658D+01
      3   0.216098D+01  0.342235D+01  0.182333D+01 -0.385446D+01 -0.125257D+00
      4   0.182124D+02 -0.162830D+02  0.135761D+02 -0.142616D+02  0.103125D+02
      5  -0.138266D+02  0.231247D+02 -0.917799D+01  0.939927D+01 -0.834025D+01
      6   0.124679D+02 -0.138630D+02  0.918957D+01 -0.108419D+02  0.100738D+02
               151           152           153           154           155 
      1   0.335780D+01  0.177510D+01 -0.315964D+01 -0.667431D+01 -0.108886D+02
      2  -0.615577D+01  0.583106D+00 -0.800967D+01  0.831693D+01  0.164920D+02
      3   0.279796D+01 -0.235821D+01  0.111693D+02 -0.164262D+01 -0.560334D+01
      4  -0.137546D+02  0.103714D+02 -0.137321D+02  0.217095D+01  0.332877D+01
      5   0.201613D+02 -0.116251D+02  0.230436D+02 -0.124882D+01 -0.453577D+01
      6  -0.114016D+02  0.113161D+02 -0.164521D+02 -0.158290D+01 -0.159807D+01
               156           157           158           159           160 
      1   0.832812D+00 -0.702820D+01 -0.248410D+02 -0.182636D+01 -0.176438D+01
      2   0.220537D+01  0.106651D+02  0.416340D+02  0.582573D+01  0.349982D+01
      3  -0.303818D+01 -0.363686D+01 -0.167930D+02 -0.399937D+01 -0.173544D+01
      4  -0.115337D+01  0.453824D+01 -0.883564D+01  0.564837D+00  0.101996D+00
      5   0.918840D+00 -0.443304D+01 -0.523925D+01 -0.369676D+01  0.614203D+00
      6   0.184483D+01 -0.430888D+00 -0.575243D+01  0.586240D+01  0.570211D+00
               161           162           163           164           165 
      1  -0.874273D+01 -0.326569D+01 -0.763599D+01 -0.210500D+01  0.106410D+02
      2   0.143955D+02  0.510125D+01 -0.482192D+01  0.561101D+01  0.429175D+01
      3  -0.565274D+01 -0.183556D+01  0.124579D+02 -0.350601D+01 -0.149328D+02
      4  -0.335598D+01 -0.842019D+00  0.689770D+01 -0.130944D+01 -0.587172D+01
      5  -0.348047D+01 -0.242275D+01 -0.459047D+01 -0.663749D+00  0.350818D+01
      6   0.383553D+01  0.401959D+01 -0.225074D+01 -0.245969D+01  0.361585D+01
               166           167           168           169           170 
      1   0.155081D+01 -0.281742D+01 -0.591237D+01  0.854569D+01 -0.222079D+01
      2   0.394078D+01 -0.426647D+00 -0.219083D+01  0.458847D+01 -0.174627D+01
      3  -0.549159D+01  0.324406D+01  0.810320D+01 -0.131342D+02  0.396706D+01
      4  -0.265740D+01  0.316295D+01  0.179078D+01 -0.677653D+01  0.207476D+01
      5   0.332122D+00 -0.110731D+01  0.179181D+01  0.506124D+01 -0.115121D+01
      6  -0.216468D+01  0.309327D+01  0.120454D+01  0.174802D+01  0.356135D+01
               171           172           173           174           175 
      1  -0.155997D+02 -0.435838D+01 -0.127768D+02 -0.525460D+01 -0.917790D+01
      2  -0.926935D+01  0.397466D+01  0.100970D+02  0.286589D+01  0.383248D+01
      3   0.248691D+02  0.383716D+00  0.267983D+01  0.238870D+01  0.534542D+01
      4   0.479865D+01 -0.143934D+01 -0.352885D+01 -0.406414D+01  0.756068D+01
      5   0.205801D+01  0.207181D+01 -0.326632D+01 -0.235768D+01  0.202504D+01
      6  -0.641641D+01  0.194849D+01  0.650670D+01  0.507653D+01 -0.271294D+00
               176           177           178           179           180 
      1  -0.228517D+02 -0.137121D+02 -0.187332D+01 -0.142974D+02 -0.107792D+02
      2   0.267543D+02  0.102499D+02  0.163684D+01  0.993538D+01  0.364838D+01
      3  -0.390265D+01  0.346225D+01  0.236482D+00  0.436202D+01  0.713078D+01
      4  -0.291454D+02 -0.135851D+02  0.110011D+00 -0.130519D+02 -0.962058D+01
      5  -0.136573D+02 -0.101790D+02  0.417360D+01 -0.970931D+01 -0.135023D+02
      6   0.209549D+02  0.148211D+02 -0.674236D-01  0.147451D+02  0.134762D+02
               181           182           183           184           185 
      1   0.699656D+02 -0.189484D+02  0.138149D+02 -0.161976D+02  0.950907D+01
      2  -0.281394D+02  0.370061D+01 -0.404934D+01  0.138872D+01  0.113338D+01
      3  -0.418262D+02  0.152478D+02 -0.976557D+01  0.148089D+02 -0.106424D+02
      4  -0.365230D+02  0.200665D+02 -0.882788D+01  0.224072D+02 -0.174103D+02
      5   0.874327D+01 -0.428565D+01  0.119917D+02 -0.412444D+01  0.154053D+01
      6  -0.358603D+01  0.161540D+01 -0.351878D+01  0.132225D+01  0.998619D-01
               186           187           188           189           190 
      1  -0.546515D+01  0.286620D+02 -0.960526D+01  0.118398D+02  0.190984D+02
      2   0.159509D+01 -0.985932D+01  0.210032D+01 -0.523150D+01 -0.136553D+02
      3   0.387005D+01 -0.188026D+02  0.750494D+01 -0.660833D+01 -0.544313D+01
      4   0.421954D+01 -0.190206D+02  0.110741D+02 -0.727662D+01  0.280041D+01
      5  -0.275119D+01  0.135315D+02 -0.420147D+01  0.122119D+02 -0.142163D+02
      6   0.343800D+01 -0.446136D+01  0.362076D+01 -0.506264D+01 -0.135299D+01
               191           192           193           194           195 
      1   0.491847D+01 -0.928191D+01  0.133089D+02  0.344265D+01 -0.888301D+01
      2  -0.480003D+01  0.103043D+02 -0.107357D+02 -0.536521D+01  0.121962D+02
      3  -0.118433D+00 -0.102236D+01 -0.257323D+01  0.192256D+01 -0.331315D+01
      4   0.550576D+01 -0.579402D+01  0.605663D+01  0.138983D+02 -0.969794D+01
      5  -0.825448D+01  0.151337D+02 -0.145279D+02 -0.118158D+02  0.172870D+02
      6  -0.189851D+00  0.229396D+00 -0.473175D+00 -0.378471D+01  0.335619D+01
               196           197           198           199           200 
      1  -0.107741D+02 -0.625282D+01  0.780225D+01 -0.105059D+01 -0.154095D+01
      2   0.134770D+02  0.964513D+01 -0.189204D+02  0.179788D+01  0.135255D+01
      3  -0.270298D+01 -0.339232D+01  0.111181D+02 -0.747282D+00  0.188401D+00
      4  -0.580202D+01 -0.101403D+02  0.745659D+01 -0.986941D+00  0.124706D+01
      5   0.215287D+02  0.110064D+02 -0.326007D+02 -0.301730D+01  0.106255D+01
      6  -0.475687D+00  0.473967D+01  0.606567D+00  0.826060D+00  0.249997D-01
               201           202           203           204           205 
      1  -0.192697D+01 -0.146578D+01 -0.135848D+01 -0.422875D+01 -0.282763D+01
      2   0.155311D+01 -0.162742D+01  0.124678D+01  0.231931D+01  0.227295D+01
      3   0.373861D+00  0.309320D+01  0.111703D+00  0.190944D+01  0.554680D+00
      4   0.183497D+01  0.810049D+00 -0.892113D+00 -0.210039D+01  0.270222D+01
      5   0.371695D+01  0.943137D+00 -0.624593D+00 -0.229416D+01  0.382387D+01
      6  -0.367985D+00 -0.648506D+00  0.361992D+01  0.353420D+01  0.140103D+00
               206           207           208           209           210 
      1  -0.468751D+01 -0.816875D+01 -0.203521D+00  0.159103D+01  0.360911D+01
      2   0.360689D+01  0.113148D+01 -0.221325D+01 -0.834486D+00 -0.115603D+01
      3   0.108062D+01  0.703727D+01  0.241677D+01 -0.756547D+00 -0.245307D+01
      4  -0.209038D+01 -0.405635D+01  0.177177D+01  0.178809D+01  0.173715D+01
      5  -0.327150D+01 -0.687193D+01  0.354734D+01  0.206354D+01  0.574682D+01
      6   0.434563D+01  0.670064D+01  0.225192D+01 -0.230829D+00  0.380142D+00
               211           212           213           214           215 
      1   0.213037D+01 -0.656118D+01 -0.786258D+01  0.288976D+01 -0.744952D+01
      2  -0.298253D+01  0.169234D+01 -0.459231D-01 -0.258025D+01  0.854003D+00
      3   0.852159D+00  0.486884D+01  0.790850D+01 -0.309508D+00  0.659551D+01
      4  -0.402430D+00  0.335860D+01  0.383388D+01  0.223800D+01  0.422787D+01
      5   0.298186D+01  0.461443D+01  0.814255D+01  0.466264D+01  0.646895D+01
      6  -0.648952D+00  0.555346D+01  0.669927D+01  0.152996D+01  0.764018D+01
               216           217           218           219           220 
      1  -0.233869D+02  0.266568D+01 -0.891364D+01 -0.615603D+01 -0.991686D+01
      2  -0.649573D+01  0.397772D+00  0.680469D+01  0.157454D+01  0.537965D+01
      3   0.298826D+02 -0.306345D+01  0.210895D+01  0.458148D+01  0.453721D+01
      4   0.537641D+01 -0.374005D+01 -0.295674D+01 -0.105080D+01  0.556293D+01
      5   0.216067D+02 -0.155618D+01  0.715011D+00 -0.352674D+01  0.680726D+01
      6   0.919685D+01  0.229045D+01  0.363859D+01  0.165044D+01 -0.108754D+01
               221           222           223           224           225 
      1  -0.212654D+02 -0.358780D+01 -0.452432D+01 -0.306025D+01 -0.726276D+01
      2   0.282603D+02  0.225023D+01  0.187561D+01  0.360363D-01  0.311450D+01
      3  -0.699487D+01  0.133756D+01  0.264871D+01  0.302421D+01  0.414826D+01
      4  -0.432509D+02 -0.102008D+02 -0.816271D+00 -0.292829D+01 -0.466832D+01
      5  -0.765342D+01 -0.105945D+02  0.522730D-01 -0.453068D+01 -0.298434D+01
      6   0.196475D+02  0.961996D+01 -0.191285D+00  0.690505D+01  0.302491D+01
               226           227           228           229           230 
      1  -0.584126D+01  0.678993D+01 -0.163650D+02  0.799598D+01 -0.122422D+02
      2  -0.937072D+00 -0.149657D+01  0.476246D+00 -0.351863D+01  0.438952D+01
      3   0.677834D+01 -0.529336D+01  0.158888D+02 -0.447735D+01  0.785271D+01
      4   0.422663D+01 -0.540300D+01  0.134970D+01 -0.235613D+01  0.557328D+01
      5  -0.125623D+01 -0.563817D+00 -0.789777D+01 -0.321940D+01 -0.653542D+01
      6  -0.304598D+01  0.442240D+01 -0.234185D+01  0.244304D+01 -0.601681D+01
               231           232           233           234           235 
      1   0.853125D+01 -0.159208D+02  0.737042D+01 -0.230370D+02  0.832515D+02
      2   0.321489D+01  0.521613D+01  0.160867D+01 -0.716278D+01 -0.467180D+02
      3  -0.117461D+02  0.107047D+02 -0.897909D+01  0.301998D+02 -0.365335D+02
      4  -0.843824D+01  0.264665D+01 -0.788261D+01  0.785390D+01 -0.740278D+01
      5   0.122672D+02  0.131947D+01  0.627055D+01 -0.226019D+02 -0.437101D+02
      6   0.879019D+01 -0.180382D+01  0.665833D+01 -0.659502D+01 -0.736498D-02
               236           237           238           239           240 
      1  -0.768935D+00 -0.221514D+02  0.462191D+01  0.699574D+01 -0.848005D+00
      2  -0.203827D+00  0.161122D+02 -0.298683D+01 -0.268854D+01  0.193673D+01
      3   0.972762D+00  0.603915D+01 -0.163508D+01 -0.430720D+01 -0.108873D+01
      4   0.115202D+02  0.203816D+01  0.113320D+02 -0.152136D+01 -0.468027D+01
      5   0.418709D+00  0.241993D+02 -0.297628D+01 -0.591236D+01  0.347437D+01
      6  -0.368401D+01 -0.960732D+00 -0.383956D+01  0.442574D+00  0.271942D+01
               241           242           243 
      1  -0.137134D+02  0.454977D+00  0.105552D+02
      2   0.117159D+02  0.633521D+00 -0.100194D+02
      3   0.199754D+01 -0.108850D+01 -0.535804D+00
      4   0.852940D+00 -0.252961D+01  0.634820D+00
      5   0.193332D+02  0.126016D+01 -0.135971D+02
      6  -0.119906D+01  0.200656D+01 -0.372742D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:05:06 2021, MaxMem=  5368709120 cpu:           33946.3 elap:            4283.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.44977 -10.53220 -10.46852 -10.46018 -10.45299
 Alpha  occ. eigenvalues --  -10.44785 -10.44613 -10.44160 -10.44032 -10.43461
 Alpha  occ. eigenvalues --  -10.43233  -1.16556  -1.01444  -0.93867  -0.88704
 Alpha  occ. eigenvalues --   -0.86806  -0.82549  -0.80959  -0.74681  -0.72420
 Alpha  occ. eigenvalues --   -0.66640  -0.63804  -0.61201  -0.59813  -0.58145
 Alpha  occ. eigenvalues --   -0.57064  -0.56352  -0.55533  -0.53701  -0.52317
 Alpha  occ. eigenvalues --   -0.50989  -0.50676  -0.49578  -0.48151  -0.47884
 Alpha  occ. eigenvalues --   -0.47005  -0.45871  -0.42756  -0.41683  -0.40512
 Alpha  occ. eigenvalues --   -0.36444  -0.36252
 Alpha virt. eigenvalues --    0.02034   0.03983   0.05625   0.06253   0.06326
 Alpha virt. eigenvalues --    0.08177   0.08760   0.09757   0.10190   0.11281
 Alpha virt. eigenvalues --    0.11763   0.13110   0.13371   0.13631   0.13841
 Alpha virt. eigenvalues --    0.15047   0.15531   0.16373   0.16578   0.17640
 Alpha virt. eigenvalues --    0.18591   0.18751   0.19432   0.20142   0.21055
 Alpha virt. eigenvalues --    0.21296   0.21537   0.22668   0.23539   0.23812
 Alpha virt. eigenvalues --    0.24361   0.24846   0.25724   0.26672   0.27017
 Alpha virt. eigenvalues --    0.27245   0.28056   0.28909   0.29331   0.30143
 Alpha virt. eigenvalues --    0.30698   0.31380   0.32287   0.32767   0.33084
 Alpha virt. eigenvalues --    0.33419   0.33745   0.34241   0.34783   0.35397
 Alpha virt. eigenvalues --    0.35660   0.36393   0.36731   0.37089   0.37467
 Alpha virt. eigenvalues --    0.37793   0.38073   0.38482   0.38683   0.39363
 Alpha virt. eigenvalues --    0.39686   0.40288   0.40453   0.41135   0.41974
 Alpha virt. eigenvalues --    0.42528   0.42579   0.42914   0.43200   0.43605
 Alpha virt. eigenvalues --    0.43781   0.43808   0.44350   0.45185   0.45690
 Alpha virt. eigenvalues --    0.46169   0.46570   0.46690   0.47104   0.47303
 Alpha virt. eigenvalues --    0.48396   0.48893   0.49351   0.49820   0.50047
 Alpha virt. eigenvalues --    0.50446   0.50805   0.50947   0.51395   0.52516
 Alpha virt. eigenvalues --    0.52576   0.53358   0.53625   0.54443   0.54728
 Alpha virt. eigenvalues --    0.55209   0.55332   0.56614   0.57192   0.57865
 Alpha virt. eigenvalues --    0.58135   0.58531   0.58784   0.58951   0.59521
 Alpha virt. eigenvalues --    0.60246   0.60964   0.61163   0.61819   0.62606
 Alpha virt. eigenvalues --    0.63158   0.63850   0.64569   0.65588   0.65886
 Alpha virt. eigenvalues --    0.66133   0.66825   0.67342   0.67789   0.68138
 Alpha virt. eigenvalues --    0.68977   0.69850   0.71116   0.71412   0.71827
 Alpha virt. eigenvalues --    0.72478   0.72770   0.73535   0.74140   0.75454
 Alpha virt. eigenvalues --    0.75986   0.77476   0.77495   0.78367   0.79182
 Alpha virt. eigenvalues --    0.80997   0.81594   0.81844   0.83525   0.84107
 Alpha virt. eigenvalues --    0.84690   0.86188   0.86683   0.87409   0.90209
 Alpha virt. eigenvalues --    0.92315   0.95712   0.98867   0.99743   1.00863
 Alpha virt. eigenvalues --    1.02535   1.02818   1.03744   1.03888   1.04246
 Alpha virt. eigenvalues --    1.04535   1.05427   1.06776   1.07241   1.07999
 Alpha virt. eigenvalues --    1.08200   1.09663   1.09918   1.10563   1.11935
 Alpha virt. eigenvalues --    1.12875   1.13033   1.13829   1.17136   1.17629
 Alpha virt. eigenvalues --    1.19842   1.20045   1.22567   1.23653   1.25127
 Alpha virt. eigenvalues --    1.26708   1.27163   1.28826   1.29610   1.32167
 Alpha virt. eigenvalues --    1.32245   1.34141   1.35149   1.36341   1.37908
 Alpha virt. eigenvalues --    1.39378   1.40317   1.42277   1.43034   1.43938
 Alpha virt. eigenvalues --    1.45448   1.46848   1.47150   1.51159   1.52305
 Alpha virt. eigenvalues --    1.54704   1.56368   1.57681   1.59793   1.60560
 Alpha virt. eigenvalues --    1.62958   1.66807   1.67335   1.68816   1.70451
 Alpha virt. eigenvalues --    1.71738   1.73432   1.75065   1.75818   1.77737
 Alpha virt. eigenvalues --    1.79437   1.80503   1.81800   1.83156   1.84261
 Alpha virt. eigenvalues --    1.85554   1.86016   1.87285   1.90219   1.92462
 Alpha virt. eigenvalues --    1.93820   1.94705   1.95611   1.95790   1.97395
 Alpha virt. eigenvalues --    1.98929   2.00051   2.01940   2.03455   2.05890
 Alpha virt. eigenvalues --    2.06935   2.07818   2.08986   2.09624   2.10653
 Alpha virt. eigenvalues --    2.11241   2.12485   2.13367   2.13974   2.15961
 Alpha virt. eigenvalues --    2.16899   2.17845   2.19628   2.21021   2.21773
 Alpha virt. eigenvalues --    2.23008   2.24501   2.25185   2.28041   2.28537
 Alpha virt. eigenvalues --    2.29843   2.30206   2.31174   2.34314   2.34452
 Alpha virt. eigenvalues --    2.35686   2.36833   2.37364   2.40282   2.43216
 Alpha virt. eigenvalues --    2.45198   2.46585   2.47565   2.49396   2.51132
 Alpha virt. eigenvalues --    2.54611   2.55004   2.56824   2.57974   2.60122
 Alpha virt. eigenvalues --    2.61522   2.62486   2.65242   2.66245   2.66542
 Alpha virt. eigenvalues --    2.71031   2.71082   2.73799   2.76576   2.77686
 Alpha virt. eigenvalues --    2.78905   2.81599   2.82637   2.83613   2.89787
 Alpha virt. eigenvalues --    2.94565   2.96500   3.01614   3.02098   3.04643
 Alpha virt. eigenvalues --    3.05719   3.07338   3.12254   3.12888   3.14807
 Alpha virt. eigenvalues --    3.16190   3.17317   3.20527   3.22514   3.22968
 Alpha virt. eigenvalues --    3.25293   3.26172   3.27427   3.29451   3.32276
 Alpha virt. eigenvalues --    3.39934   3.48395   3.55634   3.90406
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.800244  -1.017118  -0.147997  -0.032832  -0.021211   0.003018
     2  C   -1.017118  11.397588  -0.497289  -0.233137   0.190257   0.006433
     3  C   -0.147997  -0.497289   7.288268  -0.058595  -0.600928   0.148439
     4  C   -0.032832  -0.233137  -0.058595   8.028032  -0.828976  -0.004605
     5  C   -0.021211   0.190257  -0.600928  -0.828976  10.721768  -1.137512
     6  C    0.003018   0.006433   0.148439  -0.004605  -1.137512   6.539165
     7  O    0.000612  -0.002606   0.011272   0.124794  -0.256295   0.719912
     8  C   -0.238950  -0.132657   0.065993   0.010172  -0.001045   0.000304
     9  C   -0.072138  -0.416508   0.199369   0.110066  -0.017047  -0.000127
    10  C    0.053969   0.429603  -0.200567  -0.160303   0.109052  -0.000784
    11  C   -0.000940   0.000285   0.005849  -0.061381  -0.048344   0.487636
    12  H    0.155851  -0.346188   0.006139   0.025557  -0.001619  -0.000120
    13  H   -0.162254   0.171857   0.123675  -0.008945  -0.001068   0.000146
    14  H    0.169766  -0.658183  -0.481222  -0.384870  -0.395873   0.029205
    15  H    0.006885  -0.108559  -0.083207  -0.102220   0.013208  -0.000695
    16  H   -0.015219   0.125714   0.103094   0.027672   0.001253   0.000149
    17  H   -0.132054   0.354362   0.011977  -0.004442   0.002688   0.000289
    18  H   -0.004745   0.173361   0.022212  -0.017314  -0.003744  -0.002856
    19  H    0.437827  -0.120427  -0.107593   0.027088   0.014205  -0.001427
    20  H    0.020183   0.083509  -0.004789   0.007664  -0.000446  -0.000096
    21  H    0.037525   0.134501   0.019604   0.004216  -0.000770  -0.000033
    22  H   -0.021933   0.375213  -0.029239  -0.010879   0.002636   0.000075
    23  H    0.002658  -0.130091  -0.101199  -0.392119  -1.230254  -0.061422
    24  H   -0.012730  -0.006973  -0.092525  -0.328616   0.239160  -0.440897
    25  H    0.000047  -0.000361   0.001849  -0.000072  -0.080328   0.079713
    26  H    0.000516  -0.001092   0.002429   0.017676  -0.079747   0.076041
    27  H   -0.000035   0.000029  -0.000556   0.015054   0.050148   0.111582
               7          8          9         10         11         12
     1  C    0.000612  -0.238950  -0.072138   0.053969  -0.000940   0.155851
     2  C   -0.002606  -0.132657  -0.416508   0.429603   0.000285  -0.346188
     3  C    0.011272   0.065993   0.199369  -0.200567   0.005849   0.006139
     4  C    0.124794   0.010172   0.110066  -0.160303  -0.061381   0.025557
     5  C   -0.256295  -0.001045  -0.017047   0.109052  -0.048344  -0.001619
     6  C    0.719912   0.000304  -0.000127  -0.000784   0.487636  -0.000120
     7  O    7.656344   0.000067   0.000044  -0.001204  -0.034093   0.000013
     8  C    0.000067   4.914010  -0.051032  -0.049807   0.000093  -0.124888
     9  C    0.000044  -0.051032   5.264204  -0.112112  -0.000019   0.214026
    10  C   -0.001204  -0.049807  -0.112112   5.044690  -0.000585   0.028647
    11  C   -0.034093   0.000093  -0.000019  -0.000585   4.488064   0.000006
    12  H    0.000013  -0.124888   0.214026   0.028647   0.000006   2.081598
    13  H   -0.000000   0.072154  -0.007973  -0.060054  -0.000055  -0.644172
    14  H    0.007368  -0.132333   0.133456  -0.178577  -0.002059   0.026326
    15  H    0.000051  -0.009778   0.073327   0.282473  -0.000777   0.121340
    16  H   -0.000093   0.022740  -0.068897   0.062366   0.000117  -0.211636
    17  H   -0.000059   0.013531   0.038141  -0.014295   0.000219  -0.002612
    18  H    0.000096   0.010875   0.003805  -0.006414   0.000356  -0.000434
    19  H    0.000288   0.005657  -0.057138   0.035866  -0.002477   0.016471
    20  H   -0.000003   0.039367   0.013570   0.006711   0.000014   0.008300
    21  H    0.000004  -0.074114   0.005523   0.003884  -0.000001   0.044522
    22  H   -0.000013   0.298152  -0.064726  -0.008144  -0.000002  -0.048997
    23  H    0.032524   0.004905  -0.034653  -0.083368  -0.076885   0.006925
    24  H   -0.106890   0.003047  -0.001018  -0.001918   0.002666   0.000001
    25  H    0.008674   0.000029   0.000012  -0.000315   0.241894  -0.000003
    26  H    0.008211   0.000044  -0.000163  -0.000198   0.235630   0.000005
    27  H   -0.038324  -0.000003   0.000012   0.000044   0.343896   0.000000
              13         14         15         16         17         18
     1  C   -0.162254   0.169766   0.006885  -0.015219  -0.132054  -0.004745
     2  C    0.171857  -0.658183  -0.108559   0.125714   0.354362   0.173361
     3  C    0.123675  -0.481222  -0.083207   0.103094   0.011977   0.022212
     4  C   -0.008945  -0.384870  -0.102220   0.027672  -0.004442  -0.017314
     5  C   -0.001068  -0.395873   0.013208   0.001253   0.002688  -0.003744
     6  C    0.000146   0.029205  -0.000695   0.000149   0.000289  -0.002856
     7  O   -0.000000   0.007368   0.000051  -0.000093  -0.000059   0.000096
     8  C    0.072154  -0.132333  -0.009778   0.022740   0.013531   0.010875
     9  C   -0.007973   0.133456   0.073327  -0.068897   0.038141   0.003805
    10  C   -0.060054  -0.178577   0.282473   0.062366  -0.014295  -0.006414
    11  C   -0.000055  -0.002059  -0.000777   0.000117   0.000219   0.000356
    12  H   -0.644172   0.026326   0.121340  -0.211636  -0.002612  -0.000434
    13  H    1.591113  -0.037424  -0.198193   0.125038  -0.008968  -0.000369
    14  H   -0.037424   3.292878   0.152456  -0.168018  -0.004647   0.006906
    15  H   -0.198193   0.152456   1.800693  -0.516564   0.000538   0.000486
    16  H    0.125038  -0.168018  -0.516564   1.438309  -0.000331  -0.000825
    17  H   -0.008968  -0.004647   0.000538  -0.000331   0.941416  -0.066007
    18  H   -0.000369   0.006906   0.000486  -0.000825  -0.066007   0.788418
    19  H   -0.016175   0.009237   0.003197  -0.001536  -0.230407  -0.064575
    20  H   -0.003444   0.022254   0.001815  -0.000026  -0.016738   0.007992
    21  H   -0.006653   0.009093   0.001494  -0.002101  -0.013998  -0.006553
    22  H    0.004425  -0.088227  -0.000869   0.003048   0.003727  -0.004910
    23  H   -0.004074   0.150681   0.010932  -0.009281   0.006685   0.017546
    24  H    0.000568  -0.136843  -0.003187   0.001041   0.000435   0.002803
    25  H    0.000175  -0.000052  -0.000376   0.000042   0.000043   0.000007
    26  H    0.000192  -0.000119  -0.000330   0.000019   0.000037  -0.000326
    27  H   -0.000003  -0.000082   0.000048  -0.000001  -0.000003  -0.000011
              19         20         21         22         23         24
     1  C    0.437827   0.020183   0.037525  -0.021933   0.002658  -0.012730
     2  C   -0.120427   0.083509   0.134501   0.375213  -0.130091  -0.006973
     3  C   -0.107593  -0.004789   0.019604  -0.029239  -0.101199  -0.092525
     4  C    0.027088   0.007664   0.004216  -0.010879  -0.392119  -0.328616
     5  C    0.014205  -0.000446  -0.000770   0.002636  -1.230254   0.239160
     6  C   -0.001427  -0.000096  -0.000033   0.000075  -0.061422  -0.440897
     7  O    0.000288  -0.000003   0.000004  -0.000013   0.032524  -0.106890
     8  C    0.005657   0.039367  -0.074114   0.298152   0.004905   0.003047
     9  C   -0.057138   0.013570   0.005523  -0.064726  -0.034653  -0.001018
    10  C    0.035866   0.006711   0.003884  -0.008144  -0.083368  -0.001918
    11  C   -0.002477   0.000014  -0.000001  -0.000002  -0.076885   0.002666
    12  H    0.016471   0.008300   0.044522  -0.048997   0.006925   0.000001
    13  H   -0.016175  -0.003444  -0.006653   0.004425  -0.004074   0.000568
    14  H    0.009237   0.022254   0.009093  -0.088227   0.150681  -0.136843
    15  H    0.003197   0.001815   0.001494  -0.000869   0.010932  -0.003187
    16  H   -0.001536  -0.000026  -0.002101   0.003048  -0.009281   0.001041
    17  H   -0.230407  -0.016738  -0.013998   0.003727   0.006685   0.000435
    18  H   -0.064575   0.007992  -0.006553  -0.004910   0.017546   0.002803
    19  H    1.166100   0.005342   0.012692  -0.004412  -0.038159   0.000365
    20  H    0.005342   0.751635  -0.035910  -0.091270  -0.002248  -0.000341
    21  H    0.012692  -0.035910   0.851261  -0.100518  -0.000742  -0.000011
    22  H   -0.004412  -0.091270  -0.100518   0.842327   0.000404   0.000291
    23  H   -0.038159  -0.002248  -0.000742   0.000404   2.884716   0.131731
    24  H    0.000365  -0.000341  -0.000011   0.000291   0.131731   1.533069
    25  H   -0.000890   0.000001   0.000000   0.000001  -0.017042  -0.006551
    26  H   -0.000635   0.000004   0.000000  -0.000000  -0.016194  -0.005430
    27  H    0.000095   0.000000  -0.000000   0.000000   0.011209   0.007149
              25         26         27
     1  C    0.000047   0.000516  -0.000035
     2  C   -0.000361  -0.001092   0.000029
     3  C    0.001849   0.002429  -0.000556
     4  C   -0.000072   0.017676   0.015054
     5  C   -0.080328  -0.079747   0.050148
     6  C    0.079713   0.076041   0.111582
     7  O    0.008674   0.008211  -0.038324
     8  C    0.000029   0.000044  -0.000003
     9  C    0.000012  -0.000163   0.000012
    10  C   -0.000315  -0.000198   0.000044
    11  C    0.241894   0.235630   0.343896
    12  H   -0.000003   0.000005   0.000000
    13  H    0.000175   0.000192  -0.000003
    14  H   -0.000052  -0.000119  -0.000082
    15  H   -0.000376  -0.000330   0.000048
    16  H    0.000042   0.000019  -0.000001
    17  H    0.000043   0.000037  -0.000003
    18  H    0.000007  -0.000326  -0.000011
    19  H   -0.000890  -0.000635   0.000095
    20  H    0.000001   0.000004   0.000000
    21  H    0.000000   0.000000  -0.000000
    22  H    0.000001  -0.000000   0.000000
    23  H   -0.017042  -0.016194   0.011209
    24  H   -0.006551  -0.005430   0.007149
    25  H    0.564174   0.073190  -0.090736
    26  H    0.073190   0.562380  -0.085175
    27  H   -0.090736  -0.085175   0.880723
 Mulliken charges:
               1
     1  C    1.191054
     2  C   -3.771523
     3  C    0.395537
     4  C    0.231315
     5  C   -0.639170
     6  C   -0.551534
     7  O   -0.130692
     8  C    1.353465
     9  C    0.847997
    10  C    0.821342
    11  C    0.420892
    12  H   -0.355059
    13  H    0.070483
    14  H   -0.341096
    15  H   -0.444187
    16  H    0.083924
    17  H    0.120472
    18  H    0.144220
    19  H   -0.088580
    20  H    0.186948
    21  H    0.117084
    22  H   -0.056161
    23  H   -0.063186
    24  H    0.221604
    25  H    0.226875
    26  H    0.213036
    27  H   -0.205060
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.367165
     2  C   -3.771523
     3  C    0.054440
     4  C    0.168129
     5  C   -0.417565
     6  C   -0.551534
     7  O   -0.130692
     8  C    1.601336
     9  C    0.563422
    10  C    0.461079
    11  C    0.655743
 Electronic spatial extent (au):  <R**2>=           2453.6209
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.8150    Y=              1.2727    Z=              1.8000  Tot=              4.4061
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.3104   YY=            -69.4208   ZZ=            -68.2346
   XY=             -4.9985   XZ=             -8.3018   YZ=             -0.1654
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.6552   YY=              4.2345   ZZ=              5.4207
   XY=             -4.9985   XZ=             -8.3018   YZ=             -0.1654
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             69.0511  YYY=             -0.5859  ZZZ=             -1.8897  XYY=             -1.1512
  XXY=             19.4813  XXZ=             30.7399  XZZ=             -0.2288  YZZ=              0.0362
  YYZ=              0.3977  XYZ=              1.3711
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2760.2145 YYYY=           -457.1364 ZZZZ=           -396.8212 XXXY=            -76.3731
 XXXZ=           -119.3133 YYYX=              0.6973 YYYZ=              5.1103 ZZZX=             -2.1264
 ZZZY=              1.8911 XXYY=           -496.1008 XXZZ=           -488.5194 YYZZ=           -144.2730
 XXYZ=            -21.9882 YYXZ=             -3.0188 ZZXY=              0.6974
 N-N= 6.101943807680D+02 E-N=-2.297533424896D+03  KE= 4.595488088784D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:05:07 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.8822   -2.8878        3.5738    3.5735
 2      2.8822    2.8878       -2.0549   -2.0536      -29.5149  -29.4938
 3     -3.5738   -3.5735       28.2945   28.2730        2.0549    2.0536
 4      2.0549    2.0536        0.0000    0.0000       -3.5718   -3.5735
 5      1.2204    1.2208        3.5718    3.5735       -2.8840   -2.8878
 6     -2.0549   -2.0536        2.8840    2.8878       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        8.6635    8.6635       10.7205   10.7205
 2      6.1608    6.1608        0.0000    0.0000       10.7205   10.7205
 3      6.1608    6.1608        8.6635    8.6635        0.0000    0.0000
 4      8.6635    8.6635       -6.1608   -6.1608      -88.4814  -88.4814
 5    -10.7205  -10.7205       84.8190   84.8190        6.1608    6.1608
 6      3.6623    3.6623       10.7205   10.7205       -8.6635   -8.6635
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.7017    0.0000       11.7281   11.5513      -14.4683  -14.2940
 2    -11.9772  -11.5513        7.8477    8.2144      118.1652  117.9752
 3     14.8888   14.2940     -113.1627 -113.0921       -8.5078   -8.2144
 4     -7.9069   -8.2144        0.1855    0.0000       14.2425   14.2940
 5     -5.3788   -4.8831      -14.5817  -14.2940       11.4984   11.5513
 6      8.0827    8.2144      -11.4680  -11.5513       -0.0129    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2179    0.0000       26.7767   26.8587      -19.9896  -19.0815
 2    -27.3987  -26.8587      -25.8016  -25.3697        4.4367    3.9231
 3     18.9939   19.0815       53.4307   53.3578       25.9587   25.3697
 4     25.2674   25.3697        0.0725    0.0000       19.1574   19.0815
 5    -58.4227  -57.2809      -19.4191  -19.0815       26.5300   26.8587
 6    -25.2976  -25.3697      -26.7553  -26.8587        0.2487    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     47.7014   47.6488       33.0442   33.1460      -37.0997  -36.9457
 2     71.2114   70.8831       49.7091   49.9695      -37.4536  -36.9457
 3     71.1083   70.8831       33.0444   33.1460      -24.5624  -24.4602
 4    -17.0669  -16.8235      -23.2844  -23.2343       23.1067   22.2735
 5     11.8236   12.4855       50.3774   50.5389       24.4875   23.2343
 6    -74.2057  -72.8123      -12.7559  -12.4855       16.5378   16.8235
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.3411                 0.5556                 0.5806
  Dep-P Fr= 1--      0.7342                 0.7498                 0.5741
  Dep-U Fr= 1--      0.8467                 0.8570                 0.7294
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0019
 Beta2  Fr= 1--      0.3304                 0.0794                 0.0706
 AlphaG Fr= 1--     -0.0019                 0.0000                 0.0066
 Gamma2 Fr= 1--     -0.1613                 0.1456                 0.2569
 Delta2 Fr= 1--      0.0451                 0.0394                 0.0544
 Raman1 Fr= 1--       9.365                  2.222                  2.323
 ROA1   Fr= 1--     -14.047                 15.241                 26.406
 CID1   Fr= 1--      -1.500                  6.858                 11.369
 Raman2 Fr= 1--       3.965                  0.952                  0.847
 ROA2   Fr= 1--      -4.233                  3.180                  5.731
 CID2   Fr= 1--      -1.068                  3.339                  6.766
 Raman3 Fr= 1--       7.929                  1.905                  1.694
 ROA3   Fr= 1--     -14.047                 15.241                 26.406
 CID3   Fr= 1--      -1.771                  8.002                 15.587
 RC180  Fr= 1--       0.693                  0.714                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0582                 0.4152                 0.9016
  Dep-P Fr= 1--      0.7434                 0.6480                 0.5611
  Dep-U Fr= 1--      0.8528                 0.7864                 0.7189
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0032
 Beta2  Fr= 1--      0.0083                 0.0544                 0.1080
 AlphaG Fr= 1--     -0.0001                 0.0061                -0.0467
 Gamma2 Fr= 1--     -0.0244                -0.7983                 0.2593
 Delta2 Fr= 1--     -0.0085                 0.0636                 0.1242
 Raman1 Fr= 1--       0.233                  1.661                  3.606
 ROA1   Fr= 1--      -2.618                -74.600                 28.866
 CID1   Fr= 1--     -11.237                -44.915                  8.004
 Raman2 Fr= 1--       0.099                  0.653                  1.296
 ROA2   Fr= 1--      -0.518                -19.667                  5.230
 CID2   Fr= 1--      -5.212                -30.114                  4.034
 Raman3 Fr= 1--       0.199                  1.306                  2.593
 ROA3   Fr= 1--      -2.618                -74.600                 28.866
 CID3   Fr= 1--     -13.176                -57.114                 11.134
 RC180  Fr= 1--       0.706                  0.573                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.1336                 0.6685                 1.7386
  Dep-P Fr= 1--      0.4790                 0.3458                 0.2249
  Dep-U Fr= 1--      0.6477                 0.5139                 0.3673
 Alpha2 Fr= 1--      0.0007                 0.0059                 0.0221
 Beta2  Fr= 1--      0.0144                 0.0573                 0.1064
 AlphaG Fr= 1--      0.0027                -0.0013                 0.0300
 Gamma2 Fr= 1--      0.3914                 0.0549                 0.4595
 Delta2 Fr= 1--     -0.0178                 0.1518                -0.0062
 Raman1 Fr= 1--       0.534                  2.674                  6.954
 ROA1   Fr= 1--      37.008                 10.127                 43.913
 CID1   Fr= 1--      69.275                  3.787                  6.314
 Raman2 Fr= 1--       0.173                  0.687                  1.277
 ROA2   Fr= 1--       9.537                  0.102                 11.077
 CID2   Fr= 1--      55.121                  0.149                  8.674
 Raman3 Fr= 1--       0.346                  1.374                  2.554
 ROA3   Fr= 1--      37.008                 10.127                 43.913
 CID3   Fr= 1--     106.948                  7.370                 17.193
 RC180  Fr= 1--       0.295                  0.028                 -0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      3.1356                 0.7598                 1.7449
  Dep-P Fr= 1--      0.2056                 0.5147                 0.7052
  Dep-U Fr= 1--      0.3411                 0.6796                 0.8271
 Alpha2 Fr= 1--      0.0420                 0.0035                 0.0014
 Beta2  Fr= 1--      0.1782                 0.0861                 0.2405
 AlphaG Fr= 1--      0.0253                 0.0042                -0.0030
 Gamma2 Fr= 1--      0.5211                -0.9927                -1.3142
 Delta2 Fr= 1--     -0.0216                -0.1476                -0.6638
 Raman1 Fr= 1--      12.542                  3.039                  6.980
 ROA1   Fr= 1--      49.334               -100.025               -147.403
 CID1   Fr= 1--       3.933                -32.911                -21.119
 Raman2 Fr= 1--       2.139                  1.033                  2.887
 ROA2   Fr= 1--      12.679                -22.644                -26.230
 CID2   Fr= 1--       5.928                -21.927                 -9.087
 Raman3 Fr= 1--       4.278                  2.065                  5.773
 ROA3   Fr= 1--      49.334               -100.025               -147.403
 CID3   Fr= 1--      11.532                -48.428                -25.532
 RC180  Fr= 1--      -0.318                  0.359                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.3357                 0.4457                 1.2639
  Dep-P Fr= 1--      0.1748                 0.5689                 0.5846
  Dep-U Fr= 1--      0.2976                 0.7252                 0.7379
 Alpha2 Fr= 1--      0.0194                 0.0015                 0.0039
 Beta2  Fr= 1--      0.0663                 0.0539                 0.1554
 AlphaG Fr= 1--     -0.0081                -0.0101                -0.0190
 Gamma2 Fr= 1--     -0.3475                 0.6807                 0.5663
 Delta2 Fr= 1--      0.1302                 0.1469                 0.5754
 Raman1 Fr= 1--       5.343                  1.783                  5.056
 ROA1   Fr= 1--     -29.195                 70.053                 72.778
 CID1   Fr= 1--      -5.464                 39.291                 14.395
 Raman2 Fr= 1--       0.795                  0.647                  1.865
 ROA2   Fr= 1--      -9.382                 15.162                  8.989
 CID2   Fr= 1--     -11.801                 23.453                  4.819
 Raman3 Fr= 1--       1.590                  1.293                  3.731
 ROA3   Fr= 1--     -29.195                 70.053                 72.778
 CID3   Fr= 1--     -18.361                 54.179                 19.509
 RC180  Fr= 1--      -0.405                  0.450                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      2.7617                 0.8133                 2.3635
  Dep-P Fr= 1--      0.1146                 0.6845                 0.1515
  Dep-U Fr= 1--      0.2056                 0.8127                 0.2632
 Alpha2 Fr= 1--      0.0466                 0.0009                 0.0364
 Beta2  Fr= 1--      0.0946                 0.1102                 0.1037
 AlphaG Fr= 1--     -0.0221                -0.0066                -0.1389
 Gamma2 Fr= 1--      0.1632                -0.3668                -0.1555
 Delta2 Fr= 1--     -0.0090                 0.0430                 0.1007
 Raman1 Fr= 1--      11.047                  3.253                  9.454
 ROA1   Fr= 1--      15.384                -33.833                -11.707
 CID1   Fr= 1--       1.393                -10.400                 -1.238
 Raman2 Fr= 1--       1.136                  1.322                  1.244
 ROA2   Fr= 1--       3.990                 -9.146                 -4.537
 CID2   Fr= 1--       3.513                 -6.919                 -3.647
 Raman3 Fr= 1--       2.271                  2.644                  2.488
 ROA3   Fr= 1--      15.384                -33.833                -11.707
 CID3   Fr= 1--       6.773                -12.797                 -4.706
 RC180  Fr= 1--      -0.589                  0.625                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      8.3986                 4.9234                14.8642
  Dep-P Fr= 1--      0.0608                 0.1050                 0.7150
  Dep-U Fr= 1--      0.1146                 0.1900                 0.8338
 Alpha2 Fr= 1--      0.1617                 0.0852                 0.0090
 Beta2  Fr= 1--      0.1604                 0.1559                 2.0657
 AlphaG Fr= 1--      0.2386                 0.1864                 0.0724
 Gamma2 Fr= 1--     -0.5478                 1.1687                 3.1141
 Delta2 Fr= 1--     -0.2695                 0.3180                -1.7493
 Raman1 Fr= 1--      33.594                 19.693                 59.457
 ROA1   Fr= 1--     -61.215                122.368                242.977
 CID1   Fr= 1--      -1.822                  6.214                  4.087
 Raman2 Fr= 1--       1.924                  1.871                 24.789
 ROA2   Fr= 1--     -10.992                 25.505                 88.733
 CID2   Fr= 1--      -5.713                 13.635                  3.580
 Raman3 Fr= 1--       3.848                  3.741                 49.578
 ROA3   Fr= 1--     -61.215                122.368                242.977
 CID3   Fr= 1--     -15.907                 32.709                  4.901
 RC180  Fr= 1--      -0.771                 -0.620                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     12.5979                 9.1975                 6.9345
  Dep-P Fr= 1--      0.3939                 0.5910                 0.1166
  Dep-U Fr= 1--      0.5652                 0.7429                 0.2088
 Alpha2 Fr= 1--      0.0954                 0.0272                 0.1166
 Beta2  Fr= 1--      1.1867                 1.1389                 0.2413
 AlphaG Fr= 1--      0.7704                 0.0880                -0.1261
 Gamma2 Fr= 1--      4.7584                 0.4331                -2.6622
 Delta2 Fr= 1--      0.5067                -0.6242                -1.3297
 Raman1 Fr= 1--      50.392                 36.790                 27.738
 ROA1   Fr= 1--     473.024                 21.605               -298.119
 CID1   Fr= 1--       9.387                  0.587                -10.748
 Raman2 Fr= 1--      14.241                 13.666                  2.896
 ROA2   Fr= 1--     110.149                 15.388                -53.255
 CID2   Fr= 1--       7.735                  1.126                -18.391
 Raman3 Fr= 1--      28.482                 27.333                  5.792
 ROA3   Fr= 1--     473.024                 21.605               -298.119
 CID3   Fr= 1--      16.608                  0.790                -51.475
 RC180  Fr= 1--       0.130                  0.486                 -0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     21.7387                14.1653                 4.5124
  Dep-P Fr= 1--      0.2492                 0.7477                 0.5566
  Dep-U Fr= 1--      0.3990                 0.8556                 0.7151
 Alpha2 Fr= 1--      0.2582                 0.0006                 0.0166
 Beta2  Fr= 1--      1.4455                 2.0201                 0.5378
 AlphaG Fr= 1--     -0.8160                -0.0024                -0.0153
 Gamma2 Fr= 1--     -3.7733                 2.7243                 0.9604
 Delta2 Fr= 1--      0.7092                 1.6613                -0.0692
 Raman1 Fr= 1--      86.955                 56.661                 18.050
 ROA1   Fr= 1--    -339.540                314.697                 89.985
 CID1   Fr= 1--      -3.905                  5.554                  4.985
 Raman2 Fr= 1--      17.346                 24.241                  6.454
 ROA2   Fr= 1--     -96.233                 52.093                 23.603
 CID2   Fr= 1--      -5.548                  2.149                  3.657
 Raman3 Fr= 1--      34.692                 48.481                 12.907
 ROA3   Fr= 1--    -339.540                314.697                 89.985
 CID3   Fr= 1--      -9.787                  6.491                  6.972
 RC180  Fr= 1--      -0.202                  0.711                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--      8.5321                25.9041                22.2404
  Dep-P Fr= 1--      0.4894                 0.1511                 0.3632
  Dep-U Fr= 1--      0.6572                 0.2625                 0.5328
 Alpha2 Fr= 1--      0.0442                 0.3994                 0.1870
 Beta2  Fr= 1--      0.9345                 1.1331                 1.9751
 AlphaG Fr= 1--      0.0407                 0.0318                -0.0407
 Gamma2 Fr= 1--     -3.8616                 1.7859                -1.6159
 Delta2 Fr= 1--     -4.0847                 0.6828                -1.0116
 Raman1 Fr= 1--      34.129                103.617                 88.961
 ROA1   Fr= 1--    -501.423                193.298               -187.494
 CID1   Fr= 1--     -14.692                  1.866                 -2.108
 Raman2 Fr= 1--      11.214                 13.598                 23.701
 ROA2   Fr= 1--     -60.001                 37.400                -30.688
 CID2   Fr= 1--      -5.351                  2.750                 -1.295
 Raman3 Fr= 1--      22.428                 27.195                 47.402
 ROA3   Fr= 1--    -501.423                193.298               -187.494
 CID3   Fr= 1--     -22.357                  7.108                 -3.955
 RC180  Fr= 1--       0.314                 -0.475                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.0765                 6.9190                36.0038
  Dep-P Fr= 1--      0.6191                 0.4348                 0.2016
  Dep-U Fr= 1--      0.7647                 0.6061                 0.3355
 Alpha2 Fr= 1--      0.0026                 0.0450                 0.4869
 Beta2  Fr= 1--      0.1372                 0.6989                 2.0133
 AlphaG Fr= 1--     -0.1365                 0.3026                -0.0859
 Gamma2 Fr= 1--     -0.2726                 3.3323                -2.2639
 Delta2 Fr= 1--     -0.0464                 0.0904                 2.8853
 Raman1 Fr= 1--       4.306                 27.676                144.015
 ROA1   Fr= 1--     -27.651                322.791               -125.005
 CID1   Fr= 1--      -6.422                 11.663                 -0.868
 Raman2 Fr= 1--       1.646                  8.387                 24.160
 ROA2   Fr= 1--      -6.171                 79.252                -77.416
 CID2   Fr= 1--      -3.748                  9.449                 -3.204
 Raman3 Fr= 1--       3.293                 16.774                 48.319
 ROA3   Fr= 1--     -27.651                322.791               -125.005
 CID3   Fr= 1--      -8.397                 19.243                 -2.587
 RC180  Fr= 1--       0.529                  0.212                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.6688                56.7078                13.0044
  Dep-P Fr= 1--      0.6124                 0.3782                 0.4611
  Dep-U Fr= 1--      0.7596                 0.5488                 0.6312
 Alpha2 Fr= 1--      0.0067                 0.4533                 0.0762
 Beta2  Fr= 1--      0.3379                 5.1872                 1.3681
 AlphaG Fr= 1--     -0.0313                 0.0715                -0.1011
 Gamma2 Fr= 1--     -0.5055                -2.7656                 0.5815
 Delta2 Fr= 1--     -0.1338                -0.7084                 1.1064
 Raman1 Fr= 1--      10.675                226.831                 52.018
 ROA1   Fr= 1--     -52.810               -288.170                 91.228
 CID1   Fr= 1--      -4.947                 -1.270                  1.754
 Raman2 Fr= 1--       4.055                 62.247                 16.417
 ROA2   Fr= 1--     -11.062                -60.707                  5.104
 CID2   Fr= 1--      -2.728                 -0.975                  0.311
 Raman3 Fr= 1--       8.109                124.493                 32.834
 ROA3   Fr= 1--     -52.810               -288.170                 91.228
 CID3   Fr= 1--      -6.512                 -2.315                  2.778
 RC180  Fr= 1--       0.519                  0.098                  0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     17.0673                35.8273                15.4361
  Dep-P Fr= 1--      0.2996                 0.4688                 0.3288
  Dep-U Fr= 1--      0.4611                 0.6383                 0.4948
 Alpha2 Fr= 1--      0.1753                 0.2032                 0.1450
 Beta2  Fr= 1--      1.3115                 3.8117                 1.2731
 AlphaG Fr= 1--      0.2777                 0.0766                 0.0882
 Gamma2 Fr= 1--      3.6673                 1.2665                 1.8650
 Delta2 Fr= 1--     -0.3807                 1.4839                 0.9236
 Raman1 Fr= 1--      68.269                143.309                 61.744
 ROA1   Fr= 1--     339.875                169.072                208.596
 CID1   Fr= 1--       4.978                  1.180                  3.378
 Raman2 Fr= 1--      15.738                 45.741                 15.277
 ROA2   Fr= 1--      91.061                 18.525                 37.372
 CID2   Fr= 1--       5.786                  0.405                  2.446
 Raman3 Fr= 1--      31.477                 91.481                 30.553
 ROA3   Fr= 1--     339.875                169.072                208.596
 CID3   Fr= 1--      10.798                  1.848                  6.827
 RC180  Fr= 1--      -0.078                  0.277                 -0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     19.5892                50.5594                 6.2636
  Dep-P Fr= 1--      0.4072                 0.2738                 0.3775
  Dep-U Fr= 1--      0.5787                 0.4299                 0.5481
 Alpha2 Fr= 1--      0.1414                 0.5600                 0.0502
 Beta2  Fr= 1--      1.8895                 3.6226                 0.5722
 AlphaG Fr= 1--     -0.0255                 0.0032                -0.0609
 Gamma2 Fr= 1--      1.2229                 0.5472                -0.7123
 Delta2 Fr= 1--     -0.1843                 0.1256                 0.0262
 Raman1 Fr= 1--      78.357                202.238                 25.055
 ROA1   Fr= 1--     111.504                 56.548                -67.539
 CID1   Fr= 1--       1.423                  0.280                 -2.696
 Raman2 Fr= 1--      22.674                 43.471                  6.866
 ROA2   Fr= 1--      30.825                 12.128                -17.305
 CID2   Fr= 1--       1.359                  0.279                 -2.520
 Raman3 Fr= 1--      45.348                 86.943                 13.732
 ROA3   Fr= 1--     111.504                 56.548                -67.539
 CID3   Fr= 1--       2.459                  0.650                 -4.918
 RC180  Fr= 1--       0.157                 -0.140                  0.096
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      6.2942                 1.3048                29.8581
  Dep-P Fr= 1--      0.5624                 0.4918                 0.2738
  Dep-U Fr= 1--      0.7199                 0.6594                 0.4299
 Alpha2 Fr= 1--      0.0224                 0.0067                 0.3307
 Beta2  Fr= 1--      0.7552                 0.1434                 2.1393
 AlphaG Fr= 1--     -0.0401                -0.0137                 0.0263
 Gamma2 Fr= 1--     -3.8130                -0.1501                 0.8221
 Delta2 Fr= 1--     -4.1823                -0.4203                 0.1760
 Raman1 Fr= 1--      25.177                  5.219                119.432
 ROA1   Fr= 1--    -499.886                -27.860                 84.550
 CID1   Fr= 1--     -19.855                 -5.338                  0.708
 Raman2 Fr= 1--       9.063                  1.721                 25.672
 ROA2   Fr= 1--     -58.055                 -0.241                 18.322
 CID2   Fr= 1--      -6.406                 -0.140                  0.714
 Raman3 Fr= 1--      18.126                  3.441                 51.344
 ROA3   Fr= 1--    -499.886                -27.860                 84.550
 CID3   Fr= 1--     -27.579                 -8.095                  1.647
 RC180  Fr= 1--       0.440                  0.319                 -0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      1.8774                 1.0218                 0.9584
  Dep-P Fr= 1--      0.4974                 0.7014                 0.5029
  Dep-U Fr= 1--      0.6643                 0.8245                 0.6693
 Alpha2 Fr= 1--      0.0094                 0.0009                 0.0047
 Beta2  Fr= 1--      0.2079                 0.1404                 0.1069
 AlphaG Fr= 1--      0.0177                 0.0006                -0.0056
 Gamma2 Fr= 1--     -0.6125                -0.1012                -0.2300
 Delta2 Fr= 1--      0.2782                 0.1469                -0.0414
 Raman1 Fr= 1--       7.510                  4.087                  3.833
 ROA1   Fr= 1--     -49.898                 -5.020                -23.399
 CID1   Fr= 1--      -6.644                 -1.228                 -6.104
 Raman2 Fr= 1--       2.494                  1.685                  1.283
 ROA2   Fr= 1--     -16.925                 -3.605                 -5.188
 CID2   Fr= 1--      -6.785                 -2.140                 -4.044
 Raman3 Fr= 1--       4.989                  3.370                  2.566
 ROA3   Fr= 1--     -49.898                 -5.020                -23.399
 CID3   Fr= 1--     -10.002                 -1.490                 -9.120
 RC180  Fr= 1--       0.329                  0.649                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      0.7955                 4.4527                 5.3251
  Dep-P Fr= 1--      0.6661                 0.7365                 0.7500
  Dep-U Fr= 1--      0.7996                 0.8482                 0.8571
 Alpha2 Fr= 1--      0.0012                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1060                 0.6295                 0.7607
 AlphaG Fr= 1--      0.0032                 0.0023                -0.0002
 Gamma2 Fr= 1--     -0.1919                -0.5363                 2.0635
 Delta2 Fr= 1--     -0.0518                -0.2547                 1.5023
 Raman1 Fr= 1--       3.182                 17.811                 21.300
 ROA1   Fr= 1--     -20.080                -59.635                246.165
 CID1   Fr= 1--      -6.311                 -3.348                 11.557
 Raman2 Fr= 1--       1.272                  7.554                  9.129
 ROA2   Fr= 1--      -4.191                -10.833                 37.505
 CID2   Fr= 1--      -3.295                 -1.434                  4.108
 Raman3 Fr= 1--       2.544                 15.108                 18.257
 ROA3   Fr= 1--     -20.080                -59.635                246.165
 CID3   Fr= 1--      -7.892                 -3.947                 13.483
 RC180  Fr= 1--       0.599                  0.696                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      6.5287                10.8762                 6.7207
  Dep-P Fr= 1--      0.7342                 0.7308                 0.7498
  Dep-U Fr= 1--      0.8468                 0.8445                 0.8570
 Alpha2 Fr= 1--      0.0018                 0.0036                 0.0000
 Beta2  Fr= 1--      0.9214                 1.5308                 0.9599
 AlphaG Fr= 1--     -0.0147                 0.0053                 0.0012
 Gamma2 Fr= 1--     -2.0465                -1.5078                 1.8223
 Delta2 Fr= 1--     -0.9879                -0.5649                 0.5019
 Raman1 Fr= 1--      26.115                 43.505                 26.883
 ROA1   Fr= 1--    -228.083               -162.824                191.003
 CID1   Fr= 1--      -8.734                 -3.743                  7.105
 Raman2 Fr= 1--      11.056                 18.369                 11.519
 ROA2   Fr= 1--     -41.214                -31.667                 39.721
 CID2   Fr= 1--      -3.728                 -1.724                  3.448
 Raman3 Fr= 1--      22.113                 36.738                 23.038
 ROA3   Fr= 1--    -228.083               -162.824                191.003
 CID3   Fr= 1--     -10.314                 -4.432                  8.291
 RC180  Fr= 1--       0.694                  0.689                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--      7.6382                 6.6380                 0.4684
  Dep-P Fr= 1--      0.6894                 0.7475                 0.4178
  Dep-U Fr= 1--      0.8161                 0.8555                 0.5893
 Alpha2 Fr= 1--      0.0081                 0.0003                 0.0033
 Beta2  Fr= 1--      1.0390                 0.9464                 0.0460
 AlphaG Fr= 1--     -0.0092                -0.0046                -0.0065
 Gamma2 Fr= 1--     -1.0121                -0.1204                -0.1169
 Delta2 Fr= 1--      0.4034                 1.0590                 0.1461
 Raman1 Fr= 1--      30.553                 26.552                  1.873
 ROA1   Fr= 1--     -84.252                 22.331                 -6.545
 CID1   Fr= 1--      -2.758                  0.841                 -3.493
 Raman2 Fr= 1--      12.468                 11.357                  0.552
 ROA2   Fr= 1--     -27.518                -11.362                 -3.974
 CID2   Fr= 1--      -2.207                 -1.000                 -7.198
 Raman3 Fr= 1--      24.936                 22.715                  1.104
 ROA3   Fr= 1--     -84.252                 22.331                 -6.545
 CID3   Fr= 1--      -3.379                  0.983                 -5.928
 RC180  Fr= 1--       0.632                  0.711                  0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    502.3831               252.1237                32.0690
  Dep-P Fr= 1--      0.2804                 0.3196                 0.0628
  Dep-U Fr= 1--      0.4379                 0.4844                 0.1181
 Alpha2 Fr= 1--      5.4601                 2.4364                 0.6145
 Beta2  Fr= 1--     36.6684                20.3552                 0.6312
 AlphaG Fr= 1--     -0.1745                -0.0104                 0.0835
 Gamma2 Fr= 1--     -2.2676                 1.1096                -1.7816
 Delta2 Fr= 1--      1.0934                -0.3107                -1.6624
 Raman1 Fr= 1--    2009.532               1008.495                128.276
 ROA1   Fr= 1--    -182.698                 96.577               -224.235
 CID1   Fr= 1--      -0.091                  0.096                 -1.748
 Raman2 Fr= 1--     440.021                244.262                  7.574
 ROA2   Fr= 1--     -63.168                 29.116                -29.460
 CID2   Fr= 1--      -0.144                  0.119                 -3.890
 Raman3 Fr= 1--     880.043                488.524                 15.148
 ROA3   Fr= 1--    -182.698                 96.577               -224.235
 CID3   Fr= 1--      -0.208                  0.198                -14.803
 RC180  Fr= 1--      -0.124                 -0.031                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    265.2793               136.4493               143.0348
  Dep-P Fr= 1--      0.0261                 0.0068                 0.1012
  Dep-U Fr= 1--      0.0509                 0.0136                 0.1837
 Alpha2 Fr= 1--      5.5448                 2.9842                 2.4972
 Beta2  Fr= 1--      2.2520                 0.3089                 4.3804
 AlphaG Fr= 1--     -1.0097                -0.4534                -0.0559
 Gamma2 Fr= 1--      2.6647                 0.1957                -1.9794
 Delta2 Fr= 1--     -0.6834                 1.2298                -3.0718
 Raman1 Fr= 1--    1061.117                545.797                572.139
 ROA1   Fr= 1--     233.941                 58.146               -288.317
 CID1   Fr= 1--       0.220                  0.107                 -0.504
 Raman2 Fr= 1--      27.024                  3.707                 52.565
 ROA2   Fr= 1--      69.420                 -5.141                -22.930
 CID2   Fr= 1--       2.569                 -1.387                 -0.436
 Raman3 Fr= 1--      54.049                  7.413                105.130
 ROA3   Fr= 1--     233.941                 58.146               -288.317
 CID3   Fr= 1--       4.328                  7.843                 -2.742
 RC180  Fr= 1--      -0.898                 -0.973                 -0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     32.1078               227.6191                10.7744
  Dep-P Fr= 1--      0.7279                 0.0221                 0.6019
  Dep-U Fr= 1--      0.8425                 0.0433                 0.7515
 Alpha2 Fr= 1--      0.0121                 4.8028                 0.0295
 Beta2  Fr= 1--      4.5087                 1.6422                 1.3495
 AlphaG Fr= 1--     -0.0755                 0.4745                 0.0529
 Gamma2 Fr= 1--     11.5921                -9.2825                 3.6483
 Delta2 Fr= 1--     -0.1570                -9.1918                 1.2198
 Raman1 Fr= 1--     128.431                910.476                 43.098
 ROA1   Fr= 1--    1107.816              -1185.252                389.272
 CID1   Fr= 1--       8.626                 -1.302                  9.032
 Raman2 Fr= 1--      54.105                 19.706                 16.194
 ROA2   Fr= 1--     279.465               -149.245                 77.802
 CID2   Fr= 1--       5.165                 -7.574                  4.804
 Raman3 Fr= 1--     108.210                 39.412                 32.388
 ROA3   Fr= 1--    1107.816              -1185.252                389.272
 CID3   Fr= 1--      10.238                -30.073                 12.019
 RC180  Fr= 1--       0.685                 -0.913                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    134.1827                63.8086                62.4267
  Dep-P Fr= 1--      0.7430                 0.7500                 0.6144
  Dep-U Fr= 1--      0.8526                 0.8571                 0.7611
 Alpha2 Fr= 1--      0.0159                 0.0000                 0.1554
 Beta2  Fr= 1--     19.0666                 9.1155                 7.9193
 AlphaG Fr= 1--      0.0804                 0.0005                -0.1704
 Gamma2 Fr= 1--    -11.4640                17.3031               -41.6418
 Delta2 Fr= 1--      5.6931                 5.4111               -21.8112
 Raman1 Fr= 1--     536.731                255.234                249.707
 ROA1   Fr= 1--    -918.369               1834.251              -4695.572
 CID1   Fr= 1--      -1.711                  7.187                -18.804
 Raman2 Fr= 1--     228.799                109.386                 95.031
 ROA2   Fr= 1--    -320.682                371.986               -824.914
 CID2   Fr= 1--      -1.402                  3.401                 -8.680
 Raman3 Fr= 1--     457.598                218.772                190.062
 ROA3   Fr= 1--    -918.369               1834.251              -4695.572
 CID3   Fr= 1--      -2.007                  8.384                -24.705
 RC180  Fr= 1--       0.705                  0.714                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     32.1975                65.5077                98.8109
  Dep-P Fr= 1--      0.7477                 0.7500                 0.5942
  Dep-U Fr= 1--      0.8556                 0.8571                 0.7454
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.2862
 Beta2  Fr= 1--      4.5916                 9.3582                12.2760
 AlphaG Fr= 1--     -0.0428                -0.0002                 0.2647
 Gamma2 Fr= 1--     -0.5465                15.7382                25.7087
 Delta2 Fr= 1--     -0.7603                -1.5241                18.5475
 Raman1 Fr= 1--     128.790                262.031                395.244
 ROA1   Fr= 1--     -76.794               1462.095               3061.558
 CID1   Fr= 1--      -0.596                  5.580                  7.746
 Raman2 Fr= 1--      55.099                112.299                147.312
 ROA2   Fr= 1--      -7.034                389.909                468.630
 CID2   Fr= 1--      -0.128                  3.472                  3.181
 Raman3 Fr= 1--     110.199                224.597                294.623
 ROA3   Fr= 1--     -76.794               1462.095               3061.558
 CID3   Fr= 1--      -0.697                  6.510                 10.391
 RC180  Fr= 1--       0.711                  0.714                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     59.9595                84.1270                49.0341
  Dep-P Fr= 1--      0.1948                 0.6099                 0.2273
  Dep-U Fr= 1--      0.3260                 0.7577                 0.3704
 Alpha2 Fr= 1--      0.8256                 0.2169                 0.6188
 Beta2  Fr= 1--      3.2582                10.6239                 3.0270
 AlphaG Fr= 1--     -0.3297                 0.0682                 0.3792
 Gamma2 Fr= 1--     -1.2694                 1.5751                 1.9054
 Delta2 Fr= 1--      0.0038                 1.4401                 1.0174
 Raman1 Fr= 1--     239.838                336.508                196.136
 ROA1   Fr= 1--    -121.744                197.292                215.472
 CID1   Fr= 1--      -0.508                  0.586                  1.099
 Raman2 Fr= 1--      39.098                127.487                 36.324
 ROA2   Fr= 1--     -30.497                 26.281                 37.590
 CID2   Fr= 1--      -0.780                  0.206                  1.035
 Raman3 Fr= 1--      78.196                254.973                 72.649
 ROA3   Fr= 1--    -121.744                197.292                215.472
 CID3   Fr= 1--      -1.557                  0.774                  2.966
 RC180  Fr= 1--      -0.348                  0.515                 -0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168124D+03  0.714699D+01  0.577565D+01
      2   0.714699D+01  0.109136D+03  0.410718D+01
      3   0.577565D+01  0.410718D+01  0.111578D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.861721D+01  0.884808D+01 -0.316954D+01
      2   0.102334D+02 -0.105788D+02  0.176883D+02
      3   0.300282D+02 -0.430580D+02  0.180617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.634846D+02 -0.444678D+02 -0.261320D+02
      2   0.555667D+02  0.389660D+02 -0.167175D+01
      3   0.791792D+01  0.550174D+01  0.278037D+02
      4  -0.436692D+02  0.968781D+02 -0.402372D+02
      5  -0.240183D+02 -0.449481D+02  0.259950D+02
      6  -0.243895D+02  0.129273D+02 -0.105232D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.215911D+01  0.154060D+01 -0.435560D+01  0.932489D+00  0.953275D+00
      2   0.154060D+01  0.896095D+00  0.377939D+01  0.953275D+00  0.302702D+01
      3  -0.435560D+01  0.377939D+01 -0.703304D+00  0.377657D+01  0.147319D+01
                 6             7             8             9            10 
      1   0.377657D+01 -0.477541D+01  0.385063D+01 -0.389985D+00  0.180175D+02
      2   0.147319D+01  0.385063D+01  0.189205D+01 -0.375889D+00 -0.254308D+01
      3  -0.949911D+00 -0.389985D+00 -0.375889D+00 -0.180993D+01  0.534788D+01
                11            12            13            14            15 
      1  -0.254308D+01  0.534788D+01 -0.563026D+01  0.117842D+01 -0.419494D+01
      2  -0.219887D+00 -0.355172D+01  0.117842D+01 -0.461110D+01 -0.216468D+01
      3  -0.355172D+01  0.323693D+00 -0.419494D+01 -0.216468D+01  0.176841D+00
                16            17            18            19            20 
      1   0.160968D+02 -0.443206D+01  0.188645D+01 -0.390950D+02 -0.186679D+01
      2  -0.443206D+01 -0.224758D+01  0.827298D-01 -0.186679D+01 -0.390265D+01
      3   0.188645D+01  0.827298D-01  0.963173D+00 -0.491466D+01  0.105520D+01
                21            22            23            24            25 
      1  -0.491466D+01  0.347911D+01 -0.854101D+01  0.280642D+01 -0.726369D+01
      2   0.105520D+01 -0.854101D+01 -0.216462D+01 -0.765926D+00  0.241737D+01
      3  -0.700426D+00  0.280642D+01 -0.765926D+00  0.288722D+01 -0.115183D+01
                26            27            28            29            30 
      1   0.241737D+01 -0.115183D+01  0.583215D+02  0.607313D+01  0.573009D+01
      2  -0.633478D+00  0.277714D+01  0.607313D+01  0.367841D+01 -0.183220D+00
      3   0.277714D+01  0.355610D+01  0.573009D+01 -0.183220D+00  0.217477D+01
                31            32            33            34            35 
      1   0.123086D+02  0.711618D+01 -0.544708D+00  0.974081D+01 -0.517148D-01
      2   0.711618D+01  0.391834D+01 -0.522282D-01 -0.517148D-01  0.746646D+00
      3  -0.544708D+00 -0.522282D-01 -0.174063D+01  0.385542D+01 -0.188410D+01
                36            37            38            39            40 
      1   0.385542D+01 -0.579741D+02 -0.801613D+01 -0.674983D+01 -0.125895D+02
      2  -0.188410D+01 -0.801613D+01 -0.309380D+01  0.179608D-01 -0.551055D+01
      3  -0.217247D+01 -0.674983D+01  0.179608D-01 -0.103683D+01  0.147856D-01
                41            42            43            44            45 
      1  -0.551055D+01  0.147856D-01 -0.800041D+01  0.227084D+00 -0.312365D+01
      2  -0.292324D+01 -0.229660D+00  0.227084D+00 -0.877766D+00  0.249591D+01
      3  -0.229660D+00  0.269063D+01 -0.312365D+01  0.249591D+01  0.253378D+01
                46            47            48            49            50 
      1   0.419955D+02  0.795739D+01  0.651843D+01  0.910336D+01  0.227495D+01
      2   0.795739D+01  0.128331D+01  0.149582D+01  0.227495D+01  0.979117D+00
      3   0.651843D+01  0.149582D+01  0.942035D+00  0.224272D+01  0.217569D+00
                51            52            53            54            55 
      1   0.224272D+01  0.352959D+01  0.166153D+01  0.232620D+01 -0.338163D+02
      2   0.217569D+00  0.166153D+01  0.593206D+00 -0.757364D+00 -0.608653D+01
      3  -0.880356D+00  0.232620D+01 -0.757364D+00 -0.168784D+01 -0.601714D+01
                56            57            58            59            60 
      1  -0.608653D+01 -0.601714D+01 -0.127408D+02 -0.643429D+01 -0.168488D+01
      2  -0.245581D+01 -0.116635D+01 -0.643429D+01 -0.405793D+01 -0.220837D+01
      3  -0.116635D+01 -0.272294D+01 -0.168488D+01 -0.220837D+01 -0.886551D+00
                61            62            63            64            65 
      1  -0.181963D+02 -0.312645D+01 -0.618617D+01 -0.627596D+01  0.141139D+01
      2  -0.312645D+01 -0.159844D+01 -0.166182D+01  0.141139D+01  0.596048D+00
      3  -0.618617D+01 -0.166182D+01 -0.467143D+01 -0.326872D+01  0.394129D+01
                66            67            68            69            70 
      1  -0.326872D+01  0.137993D+01 -0.390949D+00  0.388867D+01 -0.687899D+01
      2   0.394129D+01 -0.390949D+00  0.262406D+01  0.322578D+01  0.397937D+01
      3  -0.978220D-01  0.388867D+01  0.322578D+01 -0.110936D+01 -0.128329D+01
                71            72            73            74            75 
      1   0.397937D+01 -0.128329D+01 -0.618047D+01 -0.175113D+01 -0.139735D+01
      2   0.303426D+01 -0.518179D+00 -0.175113D+01  0.155458D+01 -0.323355D+00
      3  -0.518179D+00  0.149737D+01 -0.139735D+01 -0.323355D+00  0.277801D+01
                76            77            78            79            80 
      1  -0.190354D+01  0.250877D+01 -0.680592D+00  0.512859D-01 -0.227375D+00
      2   0.250877D+01  0.570824D+01  0.248546D+01 -0.227375D+00  0.194002D+01
      3  -0.680592D+00  0.248546D+01 -0.189403D+01  0.265761D+01 -0.224587D+01
                81            82            83            84            85 
      1   0.265761D+01  0.576125D+01  0.230383D+01  0.104258D+01  0.527961D+01
      2  -0.224587D+01  0.230383D+01  0.458425D+01  0.265295D+01  0.645944D+01
      3  -0.263553D+01  0.104258D+01  0.265295D+01 -0.323368D+01  0.174367D+01
                86            87            88            89            90 
      1   0.645944D+01  0.174367D+01  0.681174D+01  0.473105D+01 -0.345097D+01
      2  -0.114049D+01  0.242868D+00  0.473105D+01  0.492223D+00 -0.603422D-01
      3   0.242868D+00 -0.498203D-01 -0.345097D+01 -0.603422D-01  0.455723D+00
                91            92            93            94            95 
      1   0.856466D+01  0.966585D+00 -0.289879D+01  0.222858D+01 -0.146543D+01
      2   0.966585D+00 -0.221032D+01  0.298882D-01 -0.146543D+01 -0.401160D+01
      3  -0.289879D+01  0.298882D-01 -0.246995D+01 -0.457271D+00 -0.133198D+01
                96            97            98            99           100 
      1  -0.457271D+00 -0.521268D+00 -0.249777D+00 -0.303959D+01  0.111898D+02
      2  -0.133198D+01 -0.249777D+00 -0.700703D+00  0.199961D+01  0.256951D+01
      3   0.229455D+01 -0.303959D+01  0.199961D+01  0.525207D+00  0.228760D+01
               101           102           103           104           105 
      1   0.256951D+01  0.228760D+01  0.128864D+01  0.160193D+01  0.284731D+00
      2   0.197308D+01  0.598240D+00  0.160193D+01  0.703184D+00  0.236495D+00
      3   0.598240D+00  0.135969D+01  0.284731D+00  0.236495D+00  0.412889D+00
               106           107           108           109           110 
      1   0.746318D+00  0.255208D+00  0.125933D+01 -0.408714D+00  0.565073D+00
      2   0.255208D+00 -0.123873D+00  0.692679D+00  0.565073D+00 -0.943753D+00
      3   0.125933D+01  0.692679D+00  0.108442D+01  0.113842D+01 -0.362427D+00
               111           112           113           114           115 
      1   0.113842D+01  0.234149D+00 -0.240938D+00  0.178801D-01  0.961502D+00
      2  -0.362427D+00 -0.240938D+00  0.748167D+00  0.114974D+01  0.156169D-01
      3  -0.196283D+01  0.178801D-01  0.114974D+01  0.154577D+01 -0.258528D+00
               116           117           118           119           120 
      1   0.156169D-01 -0.258528D+00 -0.442844D+00 -0.552763D+00 -0.835529D+00
      2   0.186974D+01  0.212555D+01 -0.552763D+00  0.316010D+00 -0.145004D+00
      3   0.212555D+01  0.753917D+01 -0.835529D+00 -0.145004D+00 -0.139517D+00
               121           122           123           124           125 
      1  -0.187366D+01  0.458440D+00 -0.534990D-01 -0.970614D+00  0.663515D-01
      2   0.458440D+00 -0.786348D+00 -0.124517D+01  0.663515D-01 -0.123224D+01
      3  -0.534990D-01 -0.124517D+01 -0.162698D+01  0.436573D+00 -0.113600D+01
               126           127           128           129           130 
      1   0.436573D+00 -0.205704D+01  0.182108D+01 -0.903448D-01  0.484221D+00
      2  -0.113600D+01  0.182108D+01 -0.398613D+01 -0.292643D+00 -0.202135D+01
      3  -0.692836D+01 -0.903448D-01 -0.292643D+00 -0.261927D+00 -0.277718D+00
               131           132           133           134           135 
      1  -0.202135D+01 -0.277718D+00  0.186123D+00 -0.609310D+00  0.163461D+00
      2   0.824508D+01  0.138075D+00 -0.609310D+00  0.134651D+01  0.124252D+01
      3   0.138075D+00  0.892573D+00  0.163461D+00  0.124252D+01  0.294320D+00
               136           137           138           139           140 
      1   0.317270D+01  0.158461D+01 -0.206490D+01 -0.135384D+00  0.852745D+00
      2   0.158461D+01  0.140838D+01 -0.140784D+01  0.852745D+00  0.232442D+01
      3  -0.206490D+01 -0.140784D+01  0.247133D+01 -0.108093D+01 -0.160069D+01
               141           142           143           144           145 
      1  -0.108093D+01 -0.414000D+01 -0.232095D+01  0.287634D+01  0.538264D+01
      2  -0.160069D+01 -0.232095D+01 -0.272671D+01  0.240113D+01 -0.237221D+01
      3   0.128200D+01  0.287634D+01  0.240113D+01 -0.466996D+01  0.323660D+01
               146           147           148           149           150 
      1  -0.237221D+01  0.323660D+01 -0.138920D+01  0.162273D+01 -0.135663D+01
      2   0.236575D+01 -0.211396D+01  0.162273D+01 -0.244317D+01  0.146415D+01
      3  -0.211396D+01  0.316226D+01 -0.135663D+01  0.146415D+01 -0.120665D+01
               151           152           153           154           155 
      1   0.235429D+01 -0.165203D+01  0.248023D+01 -0.144262D+01 -0.154507D+01
      2  -0.165203D+01  0.136784D+01 -0.189869D+01 -0.154507D+01 -0.238734D+01
      3   0.248023D+01 -0.189869D+01  0.390864D+01  0.105326D+00 -0.410771D+00
               156           157           158           159           160 
      1   0.105326D+00 -0.120823D+01 -0.149012D+01 -0.411859D+00 -0.461300D+00
      2  -0.410771D+00 -0.149012D+01 -0.670983D+01 -0.518351D+00 -0.693519D+00
      3  -0.536260D+00 -0.411859D+00 -0.518351D+00 -0.110688D+01 -0.379625D+00
               161           162           163           164           165 
      1  -0.693519D+00 -0.379625D+00 -0.366709D+01  0.697097D+00  0.213224D+01
      2  -0.240712D+01 -0.872057D+00  0.697097D+00 -0.107194D+01 -0.341537D+00
      3  -0.872057D+00 -0.908276D+00  0.213224D+01 -0.341537D+00 -0.226672D+01
               166           167           168           169           170 
      1   0.161611D+01 -0.104617D+01 -0.738913D+00  0.191252D+01 -0.623009D+00
      2  -0.104617D+01  0.770096D+00  0.387449D+00 -0.623009D+00  0.638452D+00
      3  -0.738913D+00  0.387449D+00  0.140914D+01 -0.201941D+01  0.336283D+00
               171           172           173           174           175 
      1  -0.201941D+01 -0.450224D+00 -0.795403D+00 -0.111210D+00 -0.136414D+01
      2   0.336283D+00 -0.795403D+00 -0.184817D+01 -0.115525D+01  0.336955D+00
      3   0.416366D+01 -0.111210D+00 -0.115525D+01 -0.102064D+01 -0.108937D+00
               176           177           178           179           180 
      1   0.336955D+00 -0.108937D+00 -0.129817D+00 -0.215827D+00  0.257388D+00
      2  -0.607846D+01 -0.285330D+01 -0.215827D+00 -0.272283D+01 -0.213043D+01
      3  -0.285330D+01 -0.208020D+01  0.257388D+00 -0.213043D+01 -0.266805D+01
               181           182           183           184           185 
      1   0.856429D+01 -0.290625D+01  0.171422D+01 -0.225793D+01  0.216937D+01
      2  -0.290625D+01  0.173913D+01 -0.841772D+00  0.216937D+01 -0.194846D+01
      3   0.171422D+01 -0.841772D+00  0.138133D+01 -0.783040D+00  0.250628D+00
               186           187           188           189           190 
      1  -0.783040D+00  0.495819D+01 -0.177817D+01  0.182250D+01  0.281092D+01
      2   0.250628D+00 -0.177817D+01  0.106819D+01 -0.663195D+00  0.799351D+00
      3  -0.402577D+00  0.182250D+01 -0.663195D+00  0.160322D+01 -0.136457D+01
               191           192           193           194           195 
      1   0.799351D+00 -0.136457D+01  0.200107D+01  0.817172D+00 -0.170656D+01
      2   0.583823D+00 -0.962492D+00  0.817172D+00  0.213363D+01 -0.173849D+01
      3  -0.962492D+00  0.151795D+01 -0.170656D+01 -0.173849D+01  0.234035D+01
               196           197           198           199           200 
      1  -0.173460D+01 -0.102084D+01  0.244184D+01  0.136491D+01  0.787823D+00
      2  -0.102084D+01 -0.177048D+01  0.144688D+01  0.787823D+00  0.482291D-01
      3   0.244184D+01  0.144688D+01 -0.447689D+01  0.121273D+01 -0.107378D+00
               201           202           203           204           205 
      1   0.121273D+01  0.138477D+01 -0.898166D+00  0.196618D+00  0.157957D+01
      2  -0.107378D+00 -0.898166D+00  0.659184D+00  0.105321D+01  0.321209D+00
      3  -0.448681D+00  0.196618D+00  0.105321D+01  0.157840D+01 -0.340069D+00
               206           207           208           209           210 
      1   0.321209D+00 -0.340069D+00 -0.931887D+00 -0.569472D+00 -0.101032D+01
      2   0.141490D+01  0.153210D+01 -0.569472D+00 -0.372578D-01 -0.240628D-02
      3   0.153210D+01  0.437621D+01 -0.101032D+01 -0.240628D-02  0.150392D+00
               211           212           213           214           215 
      1  -0.818915D+00  0.122992D+00 -0.366893D+00 -0.149267D+01 -0.267354D+00
      2   0.122992D+00 -0.119159D+01 -0.140734D+01 -0.267354D+00 -0.161724D+01
      3  -0.366893D+00 -0.140734D+01 -0.233773D+01 -0.258448D+00 -0.204391D+01
               216           217           218           219           220 
      1  -0.258448D+00 -0.911550D+00  0.759245D+00  0.307362D+00  0.196645D+01
      2  -0.204391D+01  0.759245D+00  0.109756D+01  0.257479D+00 -0.862847D-01
      3  -0.674579D+01  0.307362D+00  0.257479D+00  0.932503D+00 -0.645044D+00
               221           222           223           224           225 
      1  -0.862847D-01 -0.645044D+00  0.939125D+00  0.979588D-01  0.221753D+00
      2   0.718291D+01  0.160686D+01  0.979588D-01  0.536947D+00  0.851298D+00
      3   0.160686D+01  0.170958D+01  0.221753D+00  0.851298D+00  0.698959D+00
               226           227           228           229           230 
      1   0.539788D+00 -0.100280D+01  0.113986D+01 -0.126605D+01  0.704867D+00
      2  -0.100280D+01  0.111692D+01 -0.390994D+00  0.704867D+00 -0.119155D+01
      3   0.113986D+01 -0.390994D+00  0.245376D+01 -0.105928D+00  0.163105D+01
               231           232           233           234           235 
      1  -0.105928D+00  0.252701D+01 -0.386202D+00  0.749329D+00 -0.987257D+01
      2   0.163105D+01 -0.386202D+00  0.142028D+01 -0.147103D+01  0.170939D+00
      3  -0.244302D+01  0.749329D+00 -0.147103D+01  0.496951D+01  0.316563D+01
               236           237           238           239           240 
      1   0.170939D+00  0.316563D+01 -0.509449D+00 -0.105298D+01  0.226275D+00
      2  -0.108452D+01 -0.690932D-01 -0.105298D+01  0.234960D+00  0.553669D+00
      3  -0.690932D-01 -0.204621D+01  0.226275D+00  0.553669D+00 -0.505244D+00
               241           242           243 
      1   0.217012D+01  0.312194D-01 -0.155285D+01
      2   0.312194D-01  0.297182D+00 -0.264957D+00
      3  -0.155285D+01 -0.264957D+00  0.120504D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.610730D+01  0.930998D+01  0.558097D+01  0.884445D+01  0.945463D+01
      2  -0.802197D+01  0.215903D+01  0.798043D+01  0.611368D+01  0.480027D+00
      3  -0.272521D+01 -0.792681D+01  0.213020D+01 -0.576640D+00 -0.668990D+01
                 6             7             8             9            10 
      1  -0.226045D+01  0.571268D+01  0.494357D+01 -0.529599D+01  0.458683D+01
      2  -0.722455D+01  0.343717D+01 -0.733645D+01 -0.248500D+01  0.177792D+02
      3  -0.951849D+01  0.108269D+01 -0.107411D+02  0.884510D+00  0.913623D+01
                11            12            13            14            15 
      1  -0.532121D+01  0.794918D-01 -0.655661D+01 -0.615243D+01 -0.565470D+01
      2  -0.832891D+01  0.500620D+01 -0.106125D+02 -0.338637D+01  0.700787D+00
      3  -0.200633D+01  0.765574D+01  0.784334D+01  0.124778D+02  0.958462D+01
                16            17            18            19            20 
      1   0.124197D+01  0.413093D+01 -0.322228D+00  0.203626D+01  0.319868D+01
      2   0.318342D+01  0.155046D+01  0.296639D+01 -0.265437D+02 -0.145200D+01
      3   0.939856D+01  0.102142D+02 -0.853842D+00 -0.153871D+02 -0.436769D+01
                21            22            23            24            25 
      1  -0.142363D+01  0.599577D+01  0.353130D+01 -0.285655D+01 -0.310265D+01
      2  -0.204094D+00  0.126818D+00 -0.703892D+01  0.420361D+01 -0.157209D+02
      3  -0.336997D+01  0.695495D+01 -0.552084D+01  0.274555D+01 -0.282400D+01
                26            27            28            29            30 
      1   0.442667D+01 -0.413297D+01 -0.818046D+01  0.475146D+00 -0.408828D+00
      2   0.234283D+01 -0.279080D+00  0.292870D+02  0.556421D+01 -0.545400D+00
      3  -0.103227D+00 -0.172634D+01  0.163673D+02  0.789976D+01 -0.124979D+00
                31            32            33            34            35 
      1   0.567727D+01 -0.122929D+01 -0.302258D+01 -0.250015D+01  0.174610D+01
      2   0.123300D+02  0.340744D+01  0.167559D+00 -0.196040D+02 -0.164327D+01
      3   0.341775D+02  0.890237D+01  0.250784D+01 -0.554370D+00 -0.218161D+00
                36            37            38            39            40 
      1   0.350485D+01  0.818095D+01 -0.155413D+01  0.988101D+00 -0.706023D+01
      2   0.650032D-01 -0.209733D+02 -0.514628D+01  0.369984D+01 -0.119473D+02
      3   0.173854D+00 -0.226675D+02 -0.118895D+02 -0.908965D+00 -0.376771D+01
                41            42            43            44            45 
      1   0.313925D+00 -0.681435D+00  0.747211D+01  0.226639D+01 -0.706164D+00
      2  -0.376384D+01 -0.445122D+01 -0.132373D+02 -0.595296D+01 -0.112399D+02
      3  -0.360256D+01  0.197900D+01  0.155571D+01  0.260681D+01  0.333962D+01
                46            47            48            49            50 
      1  -0.687279D+01  0.884140D+01 -0.499946D+00  0.493219D+01 -0.678432D+01
      2   0.590801D+01  0.607982D+01 -0.612861D+01  0.350250D+01 -0.249154D+00
      3   0.140873D+02  0.163252D+02  0.341747D+00  0.238513D+02  0.614493D+01
                51            52            53            54            55 
      1  -0.141896D+02  0.668584D-01 -0.309841D+01  0.983147D+01  0.384632D+01
      2  -0.321343D+01 -0.184303D+02 -0.768605D+00  0.485990D+01 -0.447330D+01
      3  -0.276623D+01 -0.664172D+00  0.198369D+01  0.124866D+00 -0.112614D+02
                56            57            58            59            60 
      1  -0.215355D+01 -0.884961D+00  0.204864D+01  0.297270D+01  0.771551D+00
      2  -0.146744D+01  0.160552D+02 -0.383530D+01  0.272779D+01  0.714672D+01
      3  -0.186952D+02 -0.217881D+01 -0.136399D+02 -0.139545D+02 -0.427483D+01
                61            62            63            64            65 
      1   0.115657D+01  0.380740D+01 -0.326889D+01 -0.434127D+01  0.490558D+01
      2   0.377260D+01  0.292670D+01  0.145042D+02 -0.152319D+02  0.148211D+02
      3  -0.538295D+01 -0.100216D+02 -0.459115D+01  0.797270D+00 -0.591817D+01
                66            67            68            69            70 
      1  -0.502135D+01  0.710316D+01  0.203047D+01 -0.730322D+01 -0.723503D+01
      2  -0.135517D+01  0.138146D+02  0.114728D+02  0.292853D+00 -0.128420D+02
      3  -0.103519D+02  0.444307D+01 -0.990790D+01 -0.170909D+02 -0.110017D+02
                71            72            73            74            75 
      1  -0.102651D+01  0.378543D+01 -0.143723D+01  0.490456D+01 -0.561513D+01
      2   0.296778D+01  0.572225D+01  0.651029D+01  0.228208D+01  0.133367D+02
      3  -0.159002D+02  0.333541D+01 -0.263919D+01 -0.121449D+02  0.213363D+00
                76            77            78            79            80 
      1   0.198460D+01  0.282649D+01  0.446705D+01 -0.438482D+01  0.932579D+01
      2   0.458990D+00  0.390406D+01 -0.574231D+01  0.516589D+01 -0.740588D+01
      3  -0.589296D+01 -0.135451D+02 -0.931996D+01  0.165732D+01 -0.811825D+01
                81            82            83            84            85 
      1   0.488225D+00 -0.326030D+01 -0.118806D+02  0.815551D+01 -0.128927D+02
      2  -0.111634D+02  0.582881D+01  0.509841D+01 -0.292072D+01  0.745766D+01
      3   0.118734D+02  0.362272D+00 -0.944879D+01 -0.393896D+01  0.338531D+01
                86            87            88            89            90 
      1   0.901060D+00 -0.409084D+01  0.815547D+01  0.267789D+01 -0.526667D-02
      2   0.595404D+01  0.162371D+01 -0.436881D+01  0.324349D+01 -0.224974D+01
      3   0.153061D+02  0.542899D+01 -0.121847D+01  0.988277D+01 -0.986128D+01
                91            92            93            94            95 
      1   0.249962D+01 -0.615392D+01  0.312833D+01  0.149866D+01 -0.653633D+01
      2   0.233396D+01 -0.161524D+01  0.175207D+02 -0.183697D+00  0.914339D+01
      3   0.660961D+01 -0.104750D+02 -0.142474D+01 -0.117888D+01 -0.153741D+02
                96            97            98            99           100 
      1  -0.907452D+01 -0.465708D+00  0.326016D+01  0.337191D+01 -0.855889D+00
      2  -0.987094D+01  0.951117D+01 -0.714931D+01  0.179699D+01 -0.450289D+01
      3  -0.518183D+01 -0.109758D+01 -0.525597D+00  0.531931D+01  0.741414D+01
               101           102           103           104           105 
      1   0.177189D+01 -0.184152D+01  0.600441D+00  0.231696D-01 -0.148626D+01
      2  -0.434156D+00  0.468507D+01 -0.608274D+00 -0.683885D+00  0.124226D+01
      3  -0.588781D+01  0.110216D+01 -0.926053D+00 -0.827868D-01  0.319079D+00
               106           107           108           109           110 
      1  -0.118733D+01 -0.913682D-01 -0.754182D+00 -0.985804D+00 -0.160908D+01
      2   0.149591D+01  0.153383D+01  0.231265D+01  0.509539D+01 -0.146895D+01
      3   0.376742D+00  0.442887D+00 -0.431241D+00 -0.270282D+01  0.236383D+01
               111           112           113           114           115 
      1   0.252909D+01 -0.682536D+00 -0.866422D+00 -0.186556D+01  0.696992D+00
      2  -0.616371D+01 -0.718710D+00  0.376298D+01  0.410274D+01 -0.547644D+01
      3   0.242146D+01  0.265685D+01 -0.179057D+01 -0.284230D+01  0.204192D+01
               116           117           118           119           120 
      1   0.174576D+01 -0.783574D+01  0.969896D+00  0.277824D+00  0.962897D-01
      2   0.551477D+01  0.210355D+02 -0.220571D+01 -0.805864D+00  0.522451D-02
      3  -0.423417D+01 -0.620680D+01  0.514971D+00 -0.112013D+01 -0.255511D+00
               121           122           123           124           125 
      1   0.921604D+00  0.220481D+01  0.956151D+00 -0.297862D+00  0.452786D+01
      2  -0.196772D+01 -0.604887D+00 -0.176374D+01 -0.396169D+01 -0.947186D+00
      3   0.169986D+01  0.456393D+00  0.864488D+00 -0.807442D-01  0.533664D+00
               126           127           128           129           130 
      1   0.324672D+01 -0.619685D+00  0.330981D+01  0.191529D+01  0.191528D+01
      2  -0.609924D+01 -0.137363D+01  0.381807D+00  0.451689D+00 -0.394211D+00
      3   0.142485D+01 -0.954369D+01  0.965232D+01  0.449355D+00  0.939246D+01
               131           132           133           134           135 
      1  -0.521412D+01 -0.467814D+01  0.772396D-01 -0.243320D+01 -0.171889D+01
      2  -0.124178D+01  0.354197D+00 -0.797801D+00  0.153455D+01  0.604753D+00
      3  -0.182889D+02 -0.644623D+00  0.199019D+01 -0.384499D+01 -0.187719D+01
               136           137           138           139           140 
      1   0.338328D+01  0.161435D+01 -0.550307D+01  0.175507D+01  0.174058D+01
      2  -0.472415D+00 -0.137763D+01  0.433663D+01 -0.171297D+01 -0.225997D+01
      3   0.423120D+01 -0.140692D+01 -0.159243D+01  0.420361D+00 -0.326227D+01
               141           142           143           144           145 
      1  -0.255957D+01 -0.546873D+01 -0.972576D+00  0.958225D+01  0.178199D+01
      2   0.207086D+01  0.181007D+00  0.272969D+01 -0.643669D+01 -0.317202D+01
      3   0.569752D+00 -0.378482D+01  0.136061D+01  0.139507D+01 -0.445195D+01
               146           147           148           149           150 
      1   0.694628D+00  0.287038D+01  0.863508D-03 -0.132955D+01 -0.138592D+01
      2  -0.660555D+00  0.284247D+01  0.151344D+01  0.331939D+00 -0.938041D-01
      3  -0.238077D+01 -0.854154D+00  0.157679D+01  0.237241D+01  0.700685D-01
               151           152           153           154           155 
      1   0.154783D+01  0.414313D+00  0.435538D+01 -0.232034D+01 -0.454502D+01
      2  -0.213305D+01 -0.507232D+00  0.375109D+01  0.257521D+01  0.189118D+01
      3  -0.268921D+01 -0.157418D+00 -0.710307D+00  0.750933D+01  0.570824D+01
               156           157           158           159           160 
      1  -0.292920D+01 -0.328174D+01 -0.106680D+02 -0.519136D+01 -0.213886D+01
      2   0.189111D+00  0.137148D+01  0.270703D+01  0.171098D-01 -0.108242D+01
      3   0.846198D+00  0.722295D+01  0.137189D+02  0.150713D+01  0.316463D+01
               161           162           163           164           165 
      1  -0.350036D+01 -0.398843D+01  0.651318D+01 -0.449072D+01 -0.436360D+01
      2   0.250086D+00 -0.268136D+00  0.127194D+02 -0.243898D+01 -0.558745D+01
      3   0.531277D+01  0.233962D+01  0.608720D+01 -0.104713D+01 -0.338993D+01
               166           167           168           169           170 
      1  -0.445262D+01  0.335905D+01  0.168562D+01 -0.493112D+01  0.364588D+01
      2  -0.540912D+01  0.255982D+01  0.305931D+01 -0.877142D+01  0.189009D+01
      3   0.479253D+00  0.676306D+00  0.107341D+01 -0.327559D+01  0.163448D+01
               171           172           173           174           175 
      1   0.715377D+01  0.532430D+00  0.538732D+00 -0.891901D+00  0.114853D-01
      2   0.880538D+01 -0.204585D+01 -0.461482D+01 -0.258203D+01 -0.272083D+01
      3   0.341066D+01  0.478766D+01  0.612802D+01  0.397028D+01  0.316656D+01
               176           177           178           179           180 
      1   0.232812D+01 -0.249021D+01  0.603236D+00  0.123288D+01 -0.261535D+01
      2  -0.100576D+02 -0.719913D+01 -0.107597D+01 -0.747498D+01 -0.840159D+01
      3   0.198932D+02  0.991397D+01  0.214183D+01  0.987167D+01  0.711092D+01
               181           182           183           184           185 
      1   0.464493D+01 -0.207356D+01  0.337035D+01 -0.265043D+01  0.145759D+01
      2   0.117261D+02 -0.521601D+01  0.892056D+01 -0.447940D+01  0.224592D+01
      3  -0.804590D+00 -0.514207D+01  0.911705D+00 -0.279141D+01  0.480200D+01
               186           187           188           189           190 
      1  -0.175941D+01  0.296826D+01 -0.262243D+00  0.290428D+01 -0.250073D+01
      2  -0.291125D+01  0.758128D+01 -0.315181D+01  0.784419D+01 -0.187366D+01
      3   0.188114D+00  0.147005D+01 -0.264736D+01  0.233217D+00 -0.446810D+01
               191           192           193           194           195 
      1  -0.232811D+01  0.261380D+01 -0.239094D+01 -0.615637D+01  0.365781D+01
      2  -0.243419D+01  0.497481D+01 -0.274344D+01 -0.541959D+01  0.700129D+01
      3  -0.392648D+01  0.470736D+01 -0.305525D+01 -0.934310D+01  0.740194D+01
               196           197           198           199           200 
      1   0.366301D+01  0.607507D+01 -0.623847D+01 -0.523794D-01 -0.381603D+00
      2   0.422668D+01  0.420604D+01 -0.130920D+02 -0.136964D+00  0.214504D+00
      3   0.472871D+01  0.801002D+01 -0.708364D+01  0.808184D+00  0.563958D+00
               201           202           203           204           205 
      1   0.351409D+00 -0.392168D+01 -0.458838D+00 -0.208270D+01  0.146204D+01
      2  -0.102961D+00 -0.131799D+01 -0.132183D+01 -0.770140D+00 -0.334348D+01
      3   0.748936D+00  0.295990D+01 -0.215074D-01  0.136010D+00  0.167128D+01
               206           207           208           209           210 
      1   0.185502D+01 -0.351945D+01  0.783799D+00 -0.337108D+00 -0.577781D-01
      2  -0.515301D-01 -0.260257D+01  0.116680D+01 -0.271185D+00 -0.795162D-01
      3   0.831361D+00  0.419895D-01 -0.168210D+01 -0.441639D+00 -0.248189D+00
               211           212           213           214           215 
      1  -0.157706D+01  0.140783D+01  0.111810D-02  0.538710D+00  0.386116D+01
      2  -0.721939D-01  0.283942D+01  0.422625D+01 -0.357902D+01  0.356870D+01
      3   0.351884D+01 -0.189639D+01 -0.257543D+01 -0.477443D+00 -0.320319D+01
               216           217           218           219           220 
      1  -0.158052D+00  0.329448D+00  0.240466D+01  0.419480D+00 -0.692104D-01
      2   0.117249D+02 -0.165355D+01 -0.254386D+01 -0.288941D+01 -0.718017D+00
      3  -0.423162D+01  0.290321D+01  0.425109D+01  0.127415D+01  0.252687D+01
               221           222           223           224           225 
      1   0.119879D+02  0.114806D+01  0.153297D+01  0.692542D+00  0.605782D+00
      2  -0.676465D+01 -0.445225D+01 -0.125456D+01 -0.281678D+01 -0.316556D+01
      3   0.251866D+02  0.540586D+01  0.147068D+01  0.151633D+01  0.287386D+01
               226           227           228           229           230 
      1  -0.123418D+01  0.242056D+01 -0.336926D+01  0.295672D+00 -0.327773D+01
      2  -0.760971D+01  0.352823D+01 -0.110595D+02  0.289116D+01 -0.774611D+01
      3  -0.286284D+01  0.253204D+01 -0.132855D+01  0.225954D+01 -0.344897D+01
               231           232           233           234           235 
      1   0.419771D+01 -0.225755D+01  0.399462D+01 -0.541405D+01 -0.132058D+01
      2   0.969718D+01 -0.760006D+01  0.624752D+01 -0.192130D+02  0.224269D+01
      3   0.587335D+01 -0.105229D+01  0.407987D+01 -0.469890D+01 -0.399309D+01
               236           237           238           239           240 
      1  -0.183924D+01  0.711696D+00 -0.931662D+00  0.788952D-01 -0.429741D-01
      2   0.310520D+00  0.540481D+01 -0.138642D+00 -0.998050D+00  0.178632D+01
      3  -0.576969D+01  0.113953D+01 -0.262137D+01  0.364209D+00  0.152950D+01
               241           242           243 
      1   0.647677D+00  0.132525D+01 -0.801090D+00
      2   0.638631D+00  0.112767D+01 -0.218123D+01
      3   0.135303D+01  0.143428D+01 -0.160882D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.820202D+01  0.417294D+01 -0.583562D+01  0.178744D+01  0.640338D+01
      2   0.290528D+01 -0.179114D+02 -0.576361D+01 -0.139487D+02 -0.168461D+02
      3  -0.111073D+02  0.137384D+02  0.115992D+02  0.121612D+02  0.104428D+02
      4   0.110743D+02 -0.464958D+01  0.220930D+02 -0.231398D+01  0.543486D+01
      5  -0.173512D+02  0.177084D+02 -0.141381D+02  0.168872D+02  0.468121D+01
      6   0.131952D+02 -0.120355D+02  0.119597D+02 -0.828274D+01 -0.365881D+01
                 6             7             8             9            10 
      1   0.193852D+02 -0.627164D+01  0.199916D+02 -0.181506D+01 -0.213406D+01
      2  -0.129181D+02 -0.722317D+01 -0.160635D+02  0.750647D+01  0.651343D+01
      3  -0.646715D+01  0.134948D+02 -0.392811D+01 -0.569142D+01 -0.437937D+01
      4  -0.566230D+01  0.228573D+02 -0.786694D+01  0.372898D+01 -0.147061D+02
      5   0.656190D+01 -0.133623D+02  0.872079D+01 -0.739376D+01  0.104901D+02
      6   0.416644D+01  0.101475D+02  0.343031D+01  0.123842D+01 -0.111016D+02
                11            12            13            14            15 
      1  -0.211016D+01  0.784173D+01 -0.510967D+01 -0.898866D+01 -0.188713D+02
      2   0.372632D+01  0.556149D+00  0.331378D+01  0.109762D+02  0.682592D+01
      3  -0.161615D+01 -0.839788D+01  0.179589D+01 -0.198755D+01  0.120453D+02
      4  -0.109486D+01 -0.199381D+02  0.285861D+01 -0.256556D+02 -0.507014D+01
      5  -0.159808D+02 -0.338351D+01 -0.165654D+02 -0.152962D+02  0.180852D+01
      6   0.714997D+01 -0.389841D+01 -0.134297D+01 -0.203345D+01 -0.642201D+01
                16            17            18            19            20 
      1   0.647967D+01 -0.189177D+02 -0.282091D+01  0.397804D+02  0.100850D+02
      2   0.623742D+01  0.937965D+01 -0.254379D+01 -0.384110D+02 -0.134671D+02
      3  -0.127171D+02  0.953808D+01  0.536470D+01 -0.136946D+01  0.338205D+01
      4  -0.293982D+02 -0.204441D+01 -0.658546D+00  0.918960D+01 -0.989037D+01
      5  -0.603637D+01  0.919181D+00  0.176833D+01  0.166039D+02  0.496378D+01
      6  -0.423903D+01 -0.432540D+01  0.121132D+01  0.980345D+01 -0.212560D+00
                21            22            23            24            25 
      1   0.352674D+01  0.182518D+02  0.668865D+01  0.712780D+01 -0.339791D+00
      2  -0.370694D+01 -0.181337D+02 -0.123607D+02  0.242354D+01 -0.455211D+01
      3   0.180194D+00 -0.118044D+00  0.567204D+01 -0.955134D+01  0.489190D+01
      4   0.579462D+01 -0.307934D+02 -0.597235D+01 -0.394419D+01  0.131808D+02
      5   0.467922D+01  0.489664D+01  0.509246D+01  0.354321D+01  0.241237D+01
      6   0.315585D+01  0.750507D+01  0.632468D+01  0.727198D+00  0.286106D+01
                26            27            28            29            30 
      1   0.794266D+01  0.133595D+02 -0.121575D+03 -0.126119D+02 -0.662830D+01
      2  -0.569928D+00  0.614125D+01  0.827283D+02  0.822390D+01  0.656515D+01
      3  -0.737273D+01 -0.195007D+02  0.388464D+02  0.438800D+01  0.631546D-01
      4  -0.408920D+01  0.853756D+01 -0.147683D+02 -0.964685D+01 -0.242227D+00
      5   0.467474D+01  0.510753D+01 -0.375466D+02 -0.259065D+01 -0.122466D+02
      6  -0.476636D+00 -0.202502D+01 -0.172271D+02 -0.526205D+01 -0.479667D+00
                31            32            33            34            35 
      1  -0.351537D+02 -0.247890D+02  0.269547D+01 -0.311060D+02 -0.241120D+00
      2   0.254693D+02  0.220143D+02 -0.229856D+01  0.182848D+02 -0.202374D+01
      3   0.968438D+01  0.277476D+01 -0.396912D+00  0.128212D+02  0.226487D+01
      4  -0.962279D+01 -0.104986D+02  0.191114D+01 -0.704766D+01  0.113176D+01
      5  -0.102676D+02 -0.434360D+01  0.682208D-01 -0.117742D+02  0.203255D+01
      6  -0.515912D+01 -0.900215D+01  0.384993D+01 -0.216525D+01  0.927859D+00
                36            37            38            39            40 
      1  -0.107298D+02  0.176443D+03  0.283451D+02  0.196679D+02  0.303976D+02
      2   0.214771D+01 -0.108184D+03 -0.173710D+02 -0.134618D+02 -0.156099D+02
      3   0.858210D+01 -0.682592D+02 -0.109740D+02 -0.620611D+01 -0.147877D+02
      4   0.107281D+01  0.326939D+02  0.178935D+02  0.312552D+00  0.315967D+02
      5   0.191541D+01  0.579658D+02  0.467961D+01  0.135017D+02  0.405274D+01
      6  -0.494716D+01  0.191157D+02  0.576308D+01  0.717782D+00  0.100520D+02
                41            42            43            44            45 
      1   0.637780D+01  0.839292D+01  0.827516D+01  0.746302D+01  0.122694D+02
      2   0.130475D+01  0.191202D+01 -0.111652D+02 -0.236723D+01 -0.198824D+01
      3  -0.768255D+01 -0.103049D+02  0.289001D+01 -0.509579D+01 -0.102812D+02
      4   0.759373D+01  0.278843D+01 -0.807064D+01 -0.229491D+01 -0.908187D+01
      5   0.291817D+01 -0.104374D+02  0.153110D+02 -0.803304D+01 -0.105510D+02
      6   0.134799D+01  0.412338D+01  0.359936D-01  0.168874D+01 -0.891889D+01
                46            47            48            49            50 
      1  -0.169028D+03 -0.302595D+02 -0.355019D+02 -0.476965D+02 -0.172962D+02
      2   0.939530D+02  0.136613D+02  0.194872D+02  0.249673D+02  0.113862D+02
      3   0.750747D+02  0.165981D+02  0.160147D+02  0.227293D+02  0.591003D+01
      4  -0.515911D+02 -0.269242D+02 -0.990535D+01 -0.127586D+02 -0.106481D+02
      5  -0.727492D+02 -0.139423D+02 -0.274257D+02 -0.256422D+02 -0.299378D+01
      6  -0.188248D+02 -0.316946D+01 -0.540136D+01  0.741895D-02 -0.581423D+01
                51            52            53            54            55 
      1  -0.111645D+02 -0.359091D+02 -0.100966D+02 -0.179419D+02  0.178849D+03
      2   0.844819D+01  0.119208D+02 -0.333838D+00  0.135420D+02 -0.938948D+02
      3   0.271628D+01  0.239883D+02  0.104304D+02  0.439994D+01 -0.849545D+02
      4  -0.139101D+01 -0.182137D+02 -0.173284D+01  0.271179D+01  0.456059D+02
      5   0.117611D+01 -0.234952D+02  0.340525D+01  0.110053D+02  0.689932D+02
      6   0.163986D+01  0.291698D+01 -0.389537D+01 -0.334452D+01  0.100422D+02
                56            57            58            59            60 
      1   0.305077D+02  0.384098D+02  0.538828D+02  0.279116D+02  0.618429D+01
      2  -0.114193D+02 -0.241004D+02 -0.233490D+02 -0.574944D+01 -0.145277D+01
      3  -0.190885D+02 -0.143094D+02 -0.305337D+02 -0.221622D+02 -0.473152D+01
      4   0.342746D+02  0.989467D+01  0.534868D+02  0.344546D+02  0.173928D+02
      5   0.119503D+02  0.391950D+02  0.203130D+02  0.189881D+02  0.106275D+02
      6   0.597399D+01  0.422623D+01  0.104374D+02  0.846261D+01  0.974570D+01
                61            62            63            64            65 
      1   0.810251D+02  0.112013D+02  0.281547D+02 -0.278316D+02  0.157409D+02
      2  -0.498032D+02 -0.443112D+01 -0.252372D+02  0.863490D+01 -0.524280D+01
      3  -0.312219D+02 -0.677021D+01 -0.291749D+01  0.191967D+02 -0.104981D+02
      4   0.218852D+02  0.147869D+02  0.123575D+02  0.161844D+02 -0.874303D+00
      5   0.654132D+02  0.144245D+02  0.429326D+02 -0.190807D+02  0.236344D+02
      6   0.101177D+02  0.103387D+02  0.519655D+01  0.102305D+02 -0.109142D+02
                66            67            68            69            70 
      1  -0.150914D+02  0.959065D+01  0.101699D+02  0.323207D+02 -0.237473D+02
      2  -0.967971D+00  0.931952D+00 -0.641516D+01 -0.248596D+02  0.120953D+01
      3   0.160594D+02 -0.105226D+02 -0.375471D+01 -0.746114D+01  0.225377D+02
      4   0.285030D+02 -0.585185D+01  0.102139D+02  0.106138D+02  0.340602D+02
      5  -0.572562D+00  0.240736D+02  0.157417D+02 -0.120549D+02 -0.376893D+01
      6  -0.461703D+01 -0.687377D+01 -0.116727D+02 -0.652667D+01 -0.310845D+01
                71            72            73            74            75 
      1   0.339201D+02 -0.498332D+01 -0.450281D+02 -0.160183D+02 -0.128824D+02
      2  -0.252859D+02  0.586983D+01  0.186967D+02  0.727855D+01 -0.223342D+01
      3  -0.863414D+01 -0.886504D+00  0.263314D+02  0.873979D+01  0.151158D+02
      4   0.777790D+01 -0.487968D+01 -0.220685D+02  0.109794D+00 -0.287166D+01
      5  -0.919654D+01  0.968559D+01 -0.146403D+02 -0.338582D+01  0.988512D+01
      6  -0.682423D+01  0.247468D+00 -0.274960D+01 -0.186640D+01  0.839756D+01
                76            77            78            79            80 
      1  -0.141425D+02  0.785420D+01 -0.299778D+01 -0.406190D+01 -0.118261D+01
      2   0.106071D+02 -0.905812D+00  0.104424D+02 -0.513366D+01  0.718250D+01
      3   0.353544D+01 -0.694839D+01 -0.744463D+01  0.919556D+01 -0.599989D+01
      4   0.936610D+01  0.284473D+02  0.103982D+02 -0.906472D-01  0.331313D+01
      5  -0.463551D+01  0.175335D+02 -0.838664D+01  0.126764D+02 -0.779762D+01
      6   0.348798D+01  0.104880D+02 -0.155634D+01  0.719189D+01 -0.370436D+01
                81            82            83            84            85 
      1   0.224459D+02 -0.788344D+01 -0.117369D+02 -0.835646D+01 -0.147733D+02
      2  -0.493016D+01  0.132954D+02  0.275898D+02  0.101514D+02  0.265406D+02
      3  -0.175157D+02 -0.541194D+01 -0.158529D+02 -0.179499D+01 -0.117673D+02
      4  -0.360950D+01  0.627907D+01  0.919876D+01  0.933782D+01  0.195352D+02
      5  -0.762155D+01  0.122265D+01  0.919835D+01 -0.167628D+02  0.642641D+01
      6  -0.968671D+01  0.697563D+00  0.857311D+01 -0.150213D+02  0.172448D+01
                86            87            88            89            90 
      1   0.113151D+02  0.660518D+01 -0.225739D+02  0.758320D+01 -0.117044D+02
      2  -0.116869D+02 -0.591720D+01  0.232297D+02 -0.560219D+01  0.851053D+01
      3   0.371797D+00 -0.687986D+00 -0.655782D+00 -0.198101D+01  0.319392D+01
      4   0.117669D+02  0.513958D+01  0.154007D+02  0.115786D+02 -0.989106D+01
      5  -0.344484D+01 -0.113727D+01 -0.238104D+02 -0.580043D+01  0.601550D+01
      6  -0.539287D+01 -0.168140D+01 -0.187301D+02 -0.339634D+01  0.623379D+01
                91            92            93            94            95 
      1  -0.546957D+02 -0.344948D+01  0.323192D+02 -0.110206D+02  0.237204D+02
      2   0.339806D+02 -0.361157D+01 -0.968034D+01  0.334413D+01 -0.185456D+02
      3   0.207151D+02  0.706105D+01 -0.226389D+02  0.767646D+01 -0.517481D+01
      4  -0.213449D+01  0.149745D+02  0.338889D-01  0.104275D+02  0.235566D+02
      5   0.301696D+02  0.192024D+01  0.835491D+01  0.579906D+01  0.384708D+01
      6   0.201499D+01 -0.701878D+01  0.129769D+01 -0.466283D+01 -0.102748D+02
                96            97            98            99           100 
      1  -0.287883D+01  0.184642D+02 -0.475197D+01  0.159734D+02  0.816553D+02
      2  -0.942263D+01 -0.322373D+01 -0.317064D+01 -0.797517D+01 -0.393330D+02
      3   0.123015D+02 -0.152404D+02  0.792261D+01 -0.799822D+01 -0.423223D+02
      4   0.670879D+01  0.262250D+01  0.225818D+01 -0.127668D+02  0.356762D+02
      5  -0.122873D+02  0.142778D+02 -0.109380D+02 -0.100095D+02  0.246720D+02
      6  -0.390109D+01 -0.784387D+00  0.119412D+01  0.101985D+02  0.755035D+01
               101           102           103           104           105 
      1   0.152422D+02  0.132146D+02  0.738749D+01  0.836809D+01  0.111061D+01
      2  -0.399205D+01 -0.791100D+01 -0.215338D+00 -0.346185D+00 -0.109031D+01
      3  -0.112501D+02 -0.530356D+01 -0.717215D+01 -0.802190D+01 -0.203058D-01
      4   0.198533D+02  0.751588D+01  0.165040D+02  0.811306D+01  0.279393D+01
      5   0.628376D+01  0.138384D+02  0.325864D+01  0.235012D+01  0.269556D+01
      6   0.427194D+01  0.395902D+01  0.331075D+01  0.693620D+00  0.289716D+01
               106           107           108           109           110 
      1   0.438568D+01  0.116632D+01  0.603149D+01 -0.162897D+00  0.587624D+01
      2  -0.369084D+01 -0.243200D+01 -0.513900D+01 -0.223613D+01 -0.349966D+01
      3  -0.694843D+00  0.126568D+01 -0.892491D+00  0.239903D+01 -0.237659D+01
      4   0.296155D+01  0.307120D+00  0.580641D+01  0.206960D+01 -0.155953D+01
      5   0.125427D+02  0.460406D+01  0.726978D+01  0.326526D+01  0.250886D+00
      6   0.349441D+01  0.276973D+01  0.345906D+01  0.403178D+01 -0.315612D+01
               111           112           113           114           115 
      1   0.107904D+02  0.270504D+01 -0.791899D+01 -0.524307D+01  0.706303D+01
      2  -0.427683D+00 -0.200670D+01  0.328780D+01  0.199976D+01 -0.307021D+01
      3  -0.103627D+02 -0.698341D+00  0.463119D+01  0.324330D+01 -0.399283D+01
      4   0.156334D+01  0.133108D+01  0.171732D+01  0.426409D+01  0.322276D+01
      5  -0.305274D+01  0.137090D+01  0.311474D+01  0.593686D+01  0.433280D+01
      6  -0.585183D+01 -0.945381D+00  0.621986D+01  0.107779D+02  0.201330D+00
               116           117           118           119           120 
      1  -0.745235D+01 -0.239206D+02  0.173048D+00 -0.504914D+00 -0.228487D+01
      2   0.133094D+01 -0.865491D+01 -0.423453D+01  0.152409D+00  0.107792D+00
      3   0.612140D+01  0.325755D+02  0.406148D+01  0.352504D+00  0.217708D+01
      4   0.780380D+01  0.764005D+01 -0.170229D+01  0.271850D+01  0.221385D+00
      5   0.896824D+01  0.290783D+02 -0.974561D+00  0.128060D+01  0.616818D+01
      6   0.114188D+02  0.222719D+02  0.145159D+01  0.188455D+00 -0.194795D-01
               121           122           123           124           125 
      1   0.362226D+00 -0.640498D+01 -0.511496D+01 -0.142722D+01 -0.279972D+01
      2  -0.230831D+00  0.159303D+01 -0.224070D+01  0.162490D+01 -0.243882D+01
      3  -0.131394D+00  0.481195D+01  0.735567D+01 -0.197671D+00  0.523854D+01
      4   0.249626D+01 -0.242319D+01 -0.242157D+01 -0.546829D-01 -0.279056D+01
      5   0.202307D+01 -0.253342D+01 -0.314073D+01  0.525468D+01 -0.252906D+01
      6  -0.385999D+00  0.239357D+01  0.677205D+01 -0.687998D+00  0.558875D+01
               126           127           128           129           130 
      1  -0.240136D+02 -0.850666D+01  0.184616D+02  0.778390D+00  0.109288D+02
      2  -0.125632D+02  0.111061D+02 -0.260763D+02 -0.158390D+01 -0.141632D+02
      3   0.365768D+02 -0.259946D+01  0.761471D+01  0.805511D+00  0.323434D+01
      4  -0.431750D+01 -0.511082D+01  0.296382D+01 -0.717145D+00  0.548559D+01
      5  -0.122934D+02  0.368050D+00 -0.112255D+01  0.165131D+01 -0.814944D+00
      6   0.211400D+01  0.202931D+00 -0.141474D+00 -0.190062D+01  0.183343D+00
               131           132           133           134           135 
      1  -0.355870D+02 -0.795711D+00  0.381372D+01 -0.571003D+01 -0.455970D+01
      2   0.549297D+02  0.210672D+01 -0.361564D+01  0.901322D+01  0.572628D+01
      3  -0.193428D+02 -0.131101D+01 -0.198086D+00 -0.330319D+01 -0.116658D+01
      4   0.835468D+01 -0.266078D+00  0.251362D+00  0.109048D+01  0.214431D+01
      5   0.507281D+00  0.222588D+01  0.335134D+01  0.288358D+01  0.381041D-01
      6  -0.411393D+00  0.708649D+01  0.427348D+00  0.884581D+01  0.165752D+01
               136           137           138           139           140 
      1   0.114523D+02  0.181838D+01 -0.263618D+01  0.283148D+01 -0.558146D+01
      2  -0.503038D+01  0.124566D+01  0.970423D+00 -0.334975D+00  0.938394D+01
      3  -0.642196D+01 -0.306404D+01  0.166575D+01 -0.249651D+01 -0.380248D+01
      4   0.173274D+02  0.133186D+02 -0.114036D+02  0.994874D+01  0.120160D+02
      5  -0.173055D+02 -0.960430D+01  0.173282D+02 -0.580594D+01 -0.917127D+01
      6  -0.106107D+02 -0.865753D+01  0.117311D+02 -0.667033D+01 -0.105783D+02
               141           142           143           144           145 
      1   0.274876D+01  0.225969D-01  0.586150D+01 -0.566789D+01  0.152373D+02
      2  -0.440716D+01 -0.567208D+00 -0.657774D+01 -0.268452D+01 -0.105749D+02
      3   0.165840D+01  0.544611D+00  0.716233D+00  0.835241D+01 -0.466239D+01
      4  -0.949855D+01 -0.160486D+02 -0.149979D+02  0.152812D+02 -0.246472D+02
      5   0.769329D+01  0.205371D+02  0.137724D+02 -0.255108D+02  0.269061D+02
      6   0.976030D+01  0.150800D+02  0.161817D+02 -0.229250D+02 -0.133134D+02
               146           147           148           149           150 
      1  -0.138658D+01  0.260722D+01 -0.815296D+00 -0.301041D+01  0.155183D+01
      2  -0.774398D+00 -0.602956D+01 -0.100803D+01  0.686487D+01 -0.142658D+01
      3   0.216098D+01  0.342235D+01  0.182333D+01 -0.385445D+01 -0.125257D+00
      4   0.182124D+02 -0.162830D+02  0.135761D+02 -0.142615D+02  0.103125D+02
      5  -0.138266D+02  0.231247D+02 -0.917799D+01  0.939927D+01 -0.834025D+01
      6   0.124679D+02 -0.138630D+02  0.918956D+01 -0.108419D+02  0.100738D+02
               151           152           153           154           155 
      1   0.335781D+01  0.177510D+01 -0.315964D+01 -0.667431D+01 -0.108886D+02
      2  -0.615577D+01  0.583107D+00 -0.800967D+01  0.831693D+01  0.164920D+02
      3   0.279796D+01 -0.235821D+01  0.111693D+02 -0.164262D+01 -0.560334D+01
      4  -0.137546D+02  0.103714D+02 -0.137321D+02  0.217095D+01  0.332877D+01
      5   0.201613D+02 -0.116251D+02  0.230436D+02 -0.124882D+01 -0.453577D+01
      6  -0.114016D+02  0.113161D+02 -0.164521D+02 -0.158290D+01 -0.159807D+01
               156           157           158           159           160 
      1   0.832812D+00 -0.702820D+01 -0.248410D+02 -0.182636D+01 -0.176438D+01
      2   0.220537D+01  0.106651D+02  0.416340D+02  0.582573D+01  0.349982D+01
      3  -0.303818D+01 -0.363685D+01 -0.167930D+02 -0.399937D+01 -0.173544D+01
      4  -0.115337D+01  0.453824D+01 -0.883565D+01  0.564836D+00  0.101996D+00
      5   0.918840D+00 -0.443304D+01 -0.523925D+01 -0.369676D+01  0.614203D+00
      6   0.184483D+01 -0.430888D+00 -0.575243D+01  0.586240D+01  0.570211D+00
               161           162           163           164           165 
      1  -0.874273D+01 -0.326569D+01 -0.763599D+01 -0.210500D+01  0.106410D+02
      2   0.143955D+02  0.510125D+01 -0.482192D+01  0.561101D+01  0.429175D+01
      3  -0.565274D+01 -0.183556D+01  0.124579D+02 -0.350601D+01 -0.149328D+02
      4  -0.335599D+01 -0.842020D+00  0.689770D+01 -0.130944D+01 -0.587172D+01
      5  -0.348047D+01 -0.242275D+01 -0.459047D+01 -0.663749D+00  0.350818D+01
      6   0.383553D+01  0.401959D+01 -0.225074D+01 -0.245970D+01  0.361585D+01
               166           167           168           169           170 
      1   0.155081D+01 -0.281742D+01 -0.591237D+01  0.854569D+01 -0.222079D+01
      2   0.394078D+01 -0.426646D+00 -0.219082D+01  0.458847D+01 -0.174627D+01
      3  -0.549158D+01  0.324406D+01  0.810320D+01 -0.131342D+02  0.396706D+01
      4  -0.265740D+01  0.316295D+01  0.179078D+01 -0.677653D+01  0.207475D+01
      5   0.332122D+00 -0.110731D+01  0.179181D+01  0.506124D+01 -0.115121D+01
      6  -0.216468D+01  0.309327D+01  0.120454D+01  0.174802D+01  0.356135D+01
               171           172           173           174           175 
      1  -0.155997D+02 -0.435837D+01 -0.127768D+02 -0.525459D+01 -0.917790D+01
      2  -0.926934D+01  0.397466D+01  0.100969D+02  0.286589D+01  0.383248D+01
      3   0.248691D+02  0.383715D+00  0.267983D+01  0.238870D+01  0.534542D+01
      4   0.479865D+01 -0.143934D+01 -0.352885D+01 -0.406414D+01  0.756068D+01
      5   0.205801D+01  0.207181D+01 -0.326632D+01 -0.235768D+01  0.202504D+01
      6  -0.641641D+01  0.194849D+01  0.650670D+01  0.507652D+01 -0.271296D+00
               176           177           178           179           180 
      1  -0.228517D+02 -0.137121D+02 -0.187332D+01 -0.142974D+02 -0.107792D+02
      2   0.267543D+02  0.102499D+02  0.163684D+01  0.993538D+01  0.364838D+01
      3  -0.390264D+01  0.346225D+01  0.236481D+00  0.436202D+01  0.713078D+01
      4  -0.291454D+02 -0.135851D+02  0.110012D+00 -0.130519D+02 -0.962059D+01
      5  -0.136573D+02 -0.101790D+02  0.417360D+01 -0.970931D+01 -0.135023D+02
      6   0.209549D+02  0.148211D+02 -0.674248D-01  0.147451D+02  0.134762D+02
               181           182           183           184           185 
      1   0.699656D+02 -0.189484D+02  0.138149D+02 -0.161976D+02  0.950907D+01
      2  -0.281394D+02  0.370061D+01 -0.404934D+01  0.138872D+01  0.113338D+01
      3  -0.418262D+02  0.152478D+02 -0.976557D+01  0.148089D+02 -0.106424D+02
      4  -0.365230D+02  0.200665D+02 -0.882788D+01  0.224072D+02 -0.174103D+02
      5   0.874327D+01 -0.428565D+01  0.119917D+02 -0.412444D+01  0.154053D+01
      6  -0.358603D+01  0.161540D+01 -0.351878D+01  0.132225D+01  0.998624D-01
               186           187           188           189           190 
      1  -0.546515D+01  0.286620D+02 -0.960526D+01  0.118398D+02  0.190984D+02
      2   0.159509D+01 -0.985932D+01  0.210032D+01 -0.523150D+01 -0.136553D+02
      3   0.387005D+01 -0.188026D+02  0.750494D+01 -0.660833D+01 -0.544313D+01
      4   0.421954D+01 -0.190206D+02  0.110741D+02 -0.727662D+01  0.280041D+01
      5  -0.275119D+01  0.135316D+02 -0.420147D+01  0.122119D+02 -0.142162D+02
      6   0.343800D+01 -0.446136D+01  0.362076D+01 -0.506264D+01 -0.135299D+01
               191           192           193           194           195 
      1   0.491847D+01 -0.928190D+01  0.133089D+02  0.344265D+01 -0.888301D+01
      2  -0.480003D+01  0.103043D+02 -0.107357D+02 -0.536521D+01  0.121962D+02
      3  -0.118434D+00 -0.102236D+01 -0.257323D+01  0.192256D+01 -0.331315D+01
      4   0.550576D+01 -0.579402D+01  0.605663D+01  0.138983D+02 -0.969794D+01
      5  -0.825448D+01  0.151337D+02 -0.145279D+02 -0.118158D+02  0.172870D+02
      6  -0.189852D+00  0.229397D+00 -0.473177D+00 -0.378471D+01  0.335619D+01
               196           197           198           199           200 
      1  -0.107741D+02 -0.625281D+01  0.780225D+01 -0.105059D+01 -0.154095D+01
      2   0.134770D+02  0.964513D+01 -0.189204D+02  0.179788D+01  0.135255D+01
      3  -0.270298D+01 -0.339232D+01  0.111181D+02 -0.747283D+00  0.188401D+00
      4  -0.580202D+01 -0.101403D+02  0.745659D+01 -0.986941D+00  0.124706D+01
      5   0.215287D+02  0.110064D+02 -0.326007D+02 -0.301730D+01  0.106254D+01
      6  -0.475685D+00  0.473967D+01  0.606564D+00  0.826060D+00  0.249995D-01
               201           202           203           204           205 
      1  -0.192697D+01 -0.146578D+01 -0.135848D+01 -0.422875D+01 -0.282763D+01
      2   0.155311D+01 -0.162742D+01  0.124678D+01  0.231931D+01  0.227295D+01
      3   0.373861D+00  0.309320D+01  0.111703D+00  0.190944D+01  0.554680D+00
      4   0.183496D+01  0.810049D+00 -0.892113D+00 -0.210039D+01  0.270222D+01
      5   0.371695D+01  0.943137D+00 -0.624593D+00 -0.229416D+01  0.382387D+01
      6  -0.367985D+00 -0.648506D+00  0.361992D+01  0.353420D+01  0.140103D+00
               206           207           208           209           210 
      1  -0.468751D+01 -0.816875D+01 -0.203522D+00  0.159103D+01  0.360911D+01
      2   0.360689D+01  0.113148D+01 -0.221325D+01 -0.834486D+00 -0.115603D+01
      3   0.108062D+01  0.703727D+01  0.241677D+01 -0.756547D+00 -0.245307D+01
      4  -0.209038D+01 -0.405635D+01  0.177177D+01  0.178809D+01  0.173715D+01
      5  -0.327150D+01 -0.687193D+01  0.354734D+01  0.206354D+01  0.574682D+01
      6   0.434563D+01  0.670064D+01  0.225192D+01 -0.230829D+00  0.380142D+00
               211           212           213           214           215 
      1   0.213037D+01 -0.656118D+01 -0.786258D+01  0.288976D+01 -0.744952D+01
      2  -0.298253D+01  0.169234D+01 -0.459224D-01 -0.258025D+01  0.854003D+00
      3   0.852159D+00  0.486884D+01  0.790850D+01 -0.309509D+00  0.659551D+01
      4  -0.402430D+00  0.335860D+01  0.383388D+01  0.223800D+01  0.422787D+01
      5   0.298186D+01  0.461443D+01  0.814254D+01  0.466264D+01  0.646895D+01
      6  -0.648952D+00  0.555346D+01  0.669927D+01  0.152996D+01  0.764018D+01
               216           217           218           219           220 
      1  -0.233869D+02  0.266568D+01 -0.891363D+01 -0.615602D+01 -0.991685D+01
      2  -0.649572D+01  0.397770D+00  0.680469D+01  0.157454D+01  0.537965D+01
      3   0.298826D+02 -0.306345D+01  0.210895D+01  0.458148D+01  0.453721D+01
      4   0.537640D+01 -0.374005D+01 -0.295674D+01 -0.105080D+01  0.556293D+01
      5   0.216067D+02 -0.155618D+01  0.715011D+00 -0.352674D+01  0.680726D+01
      6   0.919686D+01  0.229045D+01  0.363858D+01  0.165043D+01 -0.108754D+01
               221           222           223           224           225 
      1  -0.212654D+02 -0.358779D+01 -0.452432D+01 -0.306025D+01 -0.726276D+01
      2   0.282603D+02  0.225023D+01  0.187561D+01  0.360358D-01  0.311450D+01
      3  -0.699487D+01  0.133756D+01  0.264871D+01  0.302421D+01  0.414826D+01
      4  -0.432509D+02 -0.102008D+02 -0.816271D+00 -0.292829D+01 -0.466832D+01
      5  -0.765342D+01 -0.105945D+02  0.522735D-01 -0.453068D+01 -0.298434D+01
      6   0.196475D+02  0.961996D+01 -0.191285D+00  0.690505D+01  0.302491D+01
               226           227           228           229           230 
      1  -0.584127D+01  0.678993D+01 -0.163650D+02  0.799598D+01 -0.122422D+02
      2  -0.937070D+00 -0.149657D+01  0.476246D+00 -0.351863D+01  0.438952D+01
      3   0.677834D+01 -0.529336D+01  0.158888D+02 -0.447735D+01  0.785271D+01
      4   0.422663D+01 -0.540300D+01  0.134970D+01 -0.235613D+01  0.557327D+01
      5  -0.125623D+01 -0.563817D+00 -0.789777D+01 -0.321940D+01 -0.653542D+01
      6  -0.304598D+01  0.442240D+01 -0.234185D+01  0.244304D+01 -0.601681D+01
               231           232           233           234           235 
      1   0.853125D+01 -0.159208D+02  0.737042D+01 -0.230370D+02  0.832515D+02
      2   0.321489D+01  0.521613D+01  0.160867D+01 -0.716278D+01 -0.467180D+02
      3  -0.117461D+02  0.107047D+02 -0.897909D+01  0.301998D+02 -0.365335D+02
      4  -0.843824D+01  0.264665D+01 -0.788261D+01  0.785390D+01 -0.740277D+01
      5   0.122672D+02  0.131947D+01  0.627055D+01 -0.226019D+02 -0.437101D+02
      6   0.879019D+01 -0.180382D+01  0.665833D+01 -0.659502D+01 -0.736889D-02
               236           237           238           239           240 
      1  -0.768930D+00 -0.221514D+02  0.462192D+01  0.699574D+01 -0.848006D+00
      2  -0.203829D+00  0.161122D+02 -0.298684D+01 -0.268854D+01  0.193673D+01
      3   0.972759D+00  0.603915D+01 -0.163508D+01 -0.430720D+01 -0.108872D+01
      4   0.115202D+02  0.203815D+01  0.113320D+02 -0.152135D+01 -0.468027D+01
      5   0.418705D+00  0.241993D+02 -0.297628D+01 -0.591236D+01  0.347437D+01
      6  -0.368401D+01 -0.960730D+00 -0.383956D+01  0.442572D+00  0.271942D+01
               241           242           243 
      1  -0.137134D+02  0.454976D+00  0.105552D+02
      2   0.117159D+02  0.633522D+00 -0.100194D+02
      3   0.199754D+01 -0.108850D+01 -0.535804D+00
      4   0.852937D+00 -0.252961D+01  0.634823D+00
      5   0.193332D+02  0.126016D+01 -0.135971D+02
      6  -0.119906D+01  0.200656D+01 -0.372743D+00
 Leave Link  716 at Fri Aug 13 12:05:08 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168124D+03  0.714699D+01  0.577565D+01
      2   0.714699D+01  0.109136D+03  0.410718D+01
      3   0.577565D+01  0.410718D+01  0.111578D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.861721D+01  0.884808D+01 -0.316954D+01
      2   0.102334D+02 -0.105788D+02  0.176883D+02
      3   0.300282D+02 -0.430580D+02  0.180617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.634846D+02 -0.444678D+02 -0.261320D+02
      2   0.555667D+02  0.389660D+02 -0.167175D+01
      3   0.791792D+01  0.550174D+01  0.278037D+02
      4  -0.436692D+02  0.968781D+02 -0.402372D+02
      5  -0.240183D+02 -0.449481D+02  0.259950D+02
      6  -0.243895D+02  0.129273D+02 -0.105232D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.215911D+01  0.154060D+01 -0.435560D+01  0.932489D+00  0.953275D+00
      2   0.154060D+01  0.896095D+00  0.377939D+01  0.953275D+00  0.302702D+01
      3  -0.435560D+01  0.377939D+01 -0.703304D+00  0.377657D+01  0.147319D+01
                 6             7             8             9            10 
      1   0.377657D+01 -0.477541D+01  0.385063D+01 -0.389985D+00  0.180175D+02
      2   0.147319D+01  0.385063D+01  0.189205D+01 -0.375889D+00 -0.254308D+01
      3  -0.949911D+00 -0.389985D+00 -0.375889D+00 -0.180993D+01  0.534788D+01
                11            12            13            14            15 
      1  -0.254308D+01  0.534788D+01 -0.563026D+01  0.117842D+01 -0.419494D+01
      2  -0.219887D+00 -0.355172D+01  0.117842D+01 -0.461110D+01 -0.216468D+01
      3  -0.355172D+01  0.323693D+00 -0.419494D+01 -0.216468D+01  0.176841D+00
                16            17            18            19            20 
      1   0.160968D+02 -0.443206D+01  0.188645D+01 -0.390950D+02 -0.186679D+01
      2  -0.443206D+01 -0.224758D+01  0.827298D-01 -0.186679D+01 -0.390265D+01
      3   0.188645D+01  0.827298D-01  0.963173D+00 -0.491466D+01  0.105520D+01
                21            22            23            24            25 
      1  -0.491466D+01  0.347911D+01 -0.854101D+01  0.280642D+01 -0.726369D+01
      2   0.105520D+01 -0.854101D+01 -0.216462D+01 -0.765926D+00  0.241737D+01
      3  -0.700426D+00  0.280642D+01 -0.765926D+00  0.288722D+01 -0.115183D+01
                26            27            28            29            30 
      1   0.241737D+01 -0.115183D+01  0.583215D+02  0.607313D+01  0.573009D+01
      2  -0.633478D+00  0.277714D+01  0.607313D+01  0.367841D+01 -0.183220D+00
      3   0.277714D+01  0.355610D+01  0.573009D+01 -0.183220D+00  0.217477D+01
                31            32            33            34            35 
      1   0.123086D+02  0.711618D+01 -0.544708D+00  0.974081D+01 -0.517148D-01
      2   0.711618D+01  0.391834D+01 -0.522282D-01 -0.517148D-01  0.746646D+00
      3  -0.544708D+00 -0.522282D-01 -0.174063D+01  0.385542D+01 -0.188410D+01
                36            37            38            39            40 
      1   0.385542D+01 -0.579741D+02 -0.801613D+01 -0.674983D+01 -0.125895D+02
      2  -0.188410D+01 -0.801613D+01 -0.309380D+01  0.179608D-01 -0.551055D+01
      3  -0.217247D+01 -0.674983D+01  0.179608D-01 -0.103683D+01  0.147856D-01
                41            42            43            44            45 
      1  -0.551055D+01  0.147856D-01 -0.800041D+01  0.227084D+00 -0.312365D+01
      2  -0.292324D+01 -0.229660D+00  0.227084D+00 -0.877766D+00  0.249591D+01
      3  -0.229660D+00  0.269063D+01 -0.312365D+01  0.249591D+01  0.253378D+01
                46            47            48            49            50 
      1   0.419955D+02  0.795739D+01  0.651843D+01  0.910336D+01  0.227495D+01
      2   0.795739D+01  0.128331D+01  0.149582D+01  0.227495D+01  0.979117D+00
      3   0.651843D+01  0.149582D+01  0.942035D+00  0.224272D+01  0.217569D+00
                51            52            53            54            55 
      1   0.224272D+01  0.352959D+01  0.166153D+01  0.232620D+01 -0.338163D+02
      2   0.217569D+00  0.166153D+01  0.593206D+00 -0.757364D+00 -0.608653D+01
      3  -0.880356D+00  0.232620D+01 -0.757364D+00 -0.168784D+01 -0.601714D+01
                56            57            58            59            60 
      1  -0.608653D+01 -0.601714D+01 -0.127408D+02 -0.643429D+01 -0.168488D+01
      2  -0.245581D+01 -0.116635D+01 -0.643429D+01 -0.405793D+01 -0.220837D+01
      3  -0.116635D+01 -0.272294D+01 -0.168488D+01 -0.220837D+01 -0.886551D+00
                61            62            63            64            65 
      1  -0.181963D+02 -0.312645D+01 -0.618617D+01 -0.627596D+01  0.141139D+01
      2  -0.312645D+01 -0.159844D+01 -0.166182D+01  0.141139D+01  0.596048D+00
      3  -0.618617D+01 -0.166182D+01 -0.467143D+01 -0.326872D+01  0.394129D+01
                66            67            68            69            70 
      1  -0.326872D+01  0.137993D+01 -0.390949D+00  0.388867D+01 -0.687899D+01
      2   0.394129D+01 -0.390949D+00  0.262406D+01  0.322578D+01  0.397937D+01
      3  -0.978220D-01  0.388867D+01  0.322578D+01 -0.110936D+01 -0.128329D+01
                71            72            73            74            75 
      1   0.397937D+01 -0.128329D+01 -0.618047D+01 -0.175113D+01 -0.139735D+01
      2   0.303426D+01 -0.518179D+00 -0.175113D+01  0.155458D+01 -0.323355D+00
      3  -0.518179D+00  0.149737D+01 -0.139735D+01 -0.323355D+00  0.277801D+01
                76            77            78            79            80 
      1  -0.190354D+01  0.250877D+01 -0.680592D+00  0.512859D-01 -0.227375D+00
      2   0.250877D+01  0.570824D+01  0.248546D+01 -0.227375D+00  0.194002D+01
      3  -0.680592D+00  0.248546D+01 -0.189403D+01  0.265761D+01 -0.224587D+01
                81            82            83            84            85 
      1   0.265761D+01  0.576125D+01  0.230383D+01  0.104258D+01  0.527961D+01
      2  -0.224587D+01  0.230383D+01  0.458425D+01  0.265295D+01  0.645944D+01
      3  -0.263553D+01  0.104258D+01  0.265295D+01 -0.323368D+01  0.174367D+01
                86            87            88            89            90 
      1   0.645944D+01  0.174367D+01  0.681174D+01  0.473105D+01 -0.345097D+01
      2  -0.114049D+01  0.242868D+00  0.473105D+01  0.492223D+00 -0.603422D-01
      3   0.242868D+00 -0.498203D-01 -0.345097D+01 -0.603422D-01  0.455723D+00
                91            92            93            94            95 
      1   0.856466D+01  0.966585D+00 -0.289879D+01  0.222858D+01 -0.146543D+01
      2   0.966585D+00 -0.221032D+01  0.298882D-01 -0.146543D+01 -0.401160D+01
      3  -0.289879D+01  0.298882D-01 -0.246995D+01 -0.457271D+00 -0.133198D+01
                96            97            98            99           100 
      1  -0.457271D+00 -0.521268D+00 -0.249777D+00 -0.303959D+01  0.111898D+02
      2  -0.133198D+01 -0.249777D+00 -0.700703D+00  0.199961D+01  0.256951D+01
      3   0.229455D+01 -0.303959D+01  0.199961D+01  0.525207D+00  0.228760D+01
               101           102           103           104           105 
      1   0.256951D+01  0.228760D+01  0.128864D+01  0.160193D+01  0.284731D+00
      2   0.197308D+01  0.598240D+00  0.160193D+01  0.703184D+00  0.236495D+00
      3   0.598240D+00  0.135969D+01  0.284731D+00  0.236495D+00  0.412889D+00
               106           107           108           109           110 
      1   0.746318D+00  0.255208D+00  0.125933D+01 -0.408714D+00  0.565073D+00
      2   0.255208D+00 -0.123873D+00  0.692679D+00  0.565073D+00 -0.943753D+00
      3   0.125933D+01  0.692679D+00  0.108442D+01  0.113842D+01 -0.362427D+00
               111           112           113           114           115 
      1   0.113842D+01  0.234149D+00 -0.240938D+00  0.178801D-01  0.961502D+00
      2  -0.362427D+00 -0.240938D+00  0.748167D+00  0.114974D+01  0.156169D-01
      3  -0.196283D+01  0.178801D-01  0.114974D+01  0.154577D+01 -0.258528D+00
               116           117           118           119           120 
      1   0.156169D-01 -0.258528D+00 -0.442844D+00 -0.552763D+00 -0.835529D+00
      2   0.186974D+01  0.212555D+01 -0.552763D+00  0.316010D+00 -0.145004D+00
      3   0.212555D+01  0.753917D+01 -0.835529D+00 -0.145004D+00 -0.139517D+00
               121           122           123           124           125 
      1  -0.187366D+01  0.458440D+00 -0.534990D-01 -0.970614D+00  0.663515D-01
      2   0.458440D+00 -0.786348D+00 -0.124517D+01  0.663515D-01 -0.123224D+01
      3  -0.534990D-01 -0.124517D+01 -0.162698D+01  0.436573D+00 -0.113600D+01
               126           127           128           129           130 
      1   0.436573D+00 -0.205704D+01  0.182108D+01 -0.903448D-01  0.484221D+00
      2  -0.113600D+01  0.182108D+01 -0.398613D+01 -0.292643D+00 -0.202135D+01
      3  -0.692836D+01 -0.903448D-01 -0.292643D+00 -0.261927D+00 -0.277718D+00
               131           132           133           134           135 
      1  -0.202135D+01 -0.277718D+00  0.186123D+00 -0.609310D+00  0.163461D+00
      2   0.824508D+01  0.138075D+00 -0.609310D+00  0.134651D+01  0.124252D+01
      3   0.138075D+00  0.892573D+00  0.163461D+00  0.124252D+01  0.294320D+00
               136           137           138           139           140 
      1   0.317270D+01  0.158461D+01 -0.206490D+01 -0.135384D+00  0.852745D+00
      2   0.158461D+01  0.140838D+01 -0.140784D+01  0.852745D+00  0.232442D+01
      3  -0.206490D+01 -0.140784D+01  0.247133D+01 -0.108093D+01 -0.160069D+01
               141           142           143           144           145 
      1  -0.108093D+01 -0.414000D+01 -0.232095D+01  0.287634D+01  0.538264D+01
      2  -0.160069D+01 -0.232095D+01 -0.272671D+01  0.240113D+01 -0.237221D+01
      3   0.128200D+01  0.287634D+01  0.240113D+01 -0.466996D+01  0.323660D+01
               146           147           148           149           150 
      1  -0.237221D+01  0.323660D+01 -0.138920D+01  0.162273D+01 -0.135663D+01
      2   0.236575D+01 -0.211396D+01  0.162273D+01 -0.244317D+01  0.146415D+01
      3  -0.211396D+01  0.316226D+01 -0.135663D+01  0.146415D+01 -0.120665D+01
               151           152           153           154           155 
      1   0.235429D+01 -0.165203D+01  0.248023D+01 -0.144262D+01 -0.154507D+01
      2  -0.165203D+01  0.136784D+01 -0.189869D+01 -0.154507D+01 -0.238734D+01
      3   0.248023D+01 -0.189869D+01  0.390864D+01  0.105326D+00 -0.410771D+00
               156           157           158           159           160 
      1   0.105326D+00 -0.120823D+01 -0.149012D+01 -0.411859D+00 -0.461300D+00
      2  -0.410771D+00 -0.149012D+01 -0.670983D+01 -0.518351D+00 -0.693519D+00
      3  -0.536260D+00 -0.411859D+00 -0.518351D+00 -0.110688D+01 -0.379625D+00
               161           162           163           164           165 
      1  -0.693519D+00 -0.379625D+00 -0.366709D+01  0.697097D+00  0.213224D+01
      2  -0.240712D+01 -0.872057D+00  0.697097D+00 -0.107194D+01 -0.341537D+00
      3  -0.872057D+00 -0.908276D+00  0.213224D+01 -0.341537D+00 -0.226672D+01
               166           167           168           169           170 
      1   0.161611D+01 -0.104617D+01 -0.738913D+00  0.191252D+01 -0.623009D+00
      2  -0.104617D+01  0.770096D+00  0.387449D+00 -0.623009D+00  0.638452D+00
      3  -0.738913D+00  0.387449D+00  0.140914D+01 -0.201941D+01  0.336283D+00
               171           172           173           174           175 
      1  -0.201941D+01 -0.450224D+00 -0.795403D+00 -0.111210D+00 -0.136414D+01
      2   0.336283D+00 -0.795403D+00 -0.184817D+01 -0.115525D+01  0.336955D+00
      3   0.416366D+01 -0.111210D+00 -0.115525D+01 -0.102064D+01 -0.108937D+00
               176           177           178           179           180 
      1   0.336955D+00 -0.108937D+00 -0.129817D+00 -0.215827D+00  0.257388D+00
      2  -0.607846D+01 -0.285330D+01 -0.215827D+00 -0.272283D+01 -0.213043D+01
      3  -0.285330D+01 -0.208020D+01  0.257388D+00 -0.213043D+01 -0.266805D+01
               181           182           183           184           185 
      1   0.856429D+01 -0.290625D+01  0.171422D+01 -0.225793D+01  0.216937D+01
      2  -0.290625D+01  0.173913D+01 -0.841772D+00  0.216937D+01 -0.194846D+01
      3   0.171422D+01 -0.841772D+00  0.138133D+01 -0.783040D+00  0.250628D+00
               186           187           188           189           190 
      1  -0.783040D+00  0.495819D+01 -0.177817D+01  0.182250D+01  0.281092D+01
      2   0.250628D+00 -0.177817D+01  0.106819D+01 -0.663195D+00  0.799351D+00
      3  -0.402577D+00  0.182250D+01 -0.663195D+00  0.160322D+01 -0.136457D+01
               191           192           193           194           195 
      1   0.799351D+00 -0.136457D+01  0.200107D+01  0.817172D+00 -0.170656D+01
      2   0.583823D+00 -0.962492D+00  0.817172D+00  0.213363D+01 -0.173849D+01
      3  -0.962492D+00  0.151795D+01 -0.170656D+01 -0.173849D+01  0.234035D+01
               196           197           198           199           200 
      1  -0.173460D+01 -0.102084D+01  0.244184D+01  0.136491D+01  0.787823D+00
      2  -0.102084D+01 -0.177048D+01  0.144688D+01  0.787823D+00  0.482291D-01
      3   0.244184D+01  0.144688D+01 -0.447689D+01  0.121273D+01 -0.107378D+00
               201           202           203           204           205 
      1   0.121273D+01  0.138477D+01 -0.898166D+00  0.196618D+00  0.157957D+01
      2  -0.107378D+00 -0.898166D+00  0.659184D+00  0.105321D+01  0.321209D+00
      3  -0.448681D+00  0.196618D+00  0.105321D+01  0.157840D+01 -0.340069D+00
               206           207           208           209           210 
      1   0.321209D+00 -0.340069D+00 -0.931887D+00 -0.569472D+00 -0.101032D+01
      2   0.141490D+01  0.153210D+01 -0.569472D+00 -0.372578D-01 -0.240628D-02
      3   0.153210D+01  0.437621D+01 -0.101032D+01 -0.240628D-02  0.150392D+00
               211           212           213           214           215 
      1  -0.818915D+00  0.122992D+00 -0.366893D+00 -0.149267D+01 -0.267354D+00
      2   0.122992D+00 -0.119159D+01 -0.140734D+01 -0.267354D+00 -0.161724D+01
      3  -0.366893D+00 -0.140734D+01 -0.233773D+01 -0.258448D+00 -0.204391D+01
               216           217           218           219           220 
      1  -0.258448D+00 -0.911550D+00  0.759245D+00  0.307362D+00  0.196645D+01
      2  -0.204391D+01  0.759245D+00  0.109756D+01  0.257479D+00 -0.862847D-01
      3  -0.674579D+01  0.307362D+00  0.257479D+00  0.932503D+00 -0.645044D+00
               221           222           223           224           225 
      1  -0.862847D-01 -0.645044D+00  0.939125D+00  0.979588D-01  0.221753D+00
      2   0.718291D+01  0.160686D+01  0.979588D-01  0.536947D+00  0.851298D+00
      3   0.160686D+01  0.170958D+01  0.221753D+00  0.851298D+00  0.698959D+00
               226           227           228           229           230 
      1   0.539788D+00 -0.100280D+01  0.113986D+01 -0.126605D+01  0.704867D+00
      2  -0.100280D+01  0.111692D+01 -0.390994D+00  0.704867D+00 -0.119155D+01
      3   0.113986D+01 -0.390994D+00  0.245376D+01 -0.105928D+00  0.163105D+01
               231           232           233           234           235 
      1  -0.105928D+00  0.252701D+01 -0.386202D+00  0.749329D+00 -0.987257D+01
      2   0.163105D+01 -0.386202D+00  0.142028D+01 -0.147103D+01  0.170939D+00
      3  -0.244302D+01  0.749329D+00 -0.147103D+01  0.496951D+01  0.316563D+01
               236           237           238           239           240 
      1   0.170939D+00  0.316563D+01 -0.509449D+00 -0.105298D+01  0.226275D+00
      2  -0.108452D+01 -0.690932D-01 -0.105298D+01  0.234960D+00  0.553669D+00
      3  -0.690932D-01 -0.204621D+01  0.226275D+00  0.553669D+00 -0.505244D+00
               241           242           243 
      1   0.217012D+01  0.312194D-01 -0.155285D+01
      2   0.312194D-01  0.297182D+00 -0.264957D+00
      3  -0.155285D+01 -0.264957D+00  0.120504D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.610730D+01  0.930998D+01  0.558097D+01  0.884445D+01  0.945463D+01
      2  -0.802197D+01  0.215903D+01  0.798043D+01  0.611368D+01  0.480027D+00
      3  -0.272521D+01 -0.792681D+01  0.213020D+01 -0.576640D+00 -0.668990D+01
                 6             7             8             9            10 
      1  -0.226045D+01  0.571268D+01  0.494357D+01 -0.529599D+01  0.458683D+01
      2  -0.722455D+01  0.343717D+01 -0.733645D+01 -0.248500D+01  0.177792D+02
      3  -0.951849D+01  0.108269D+01 -0.107411D+02  0.884510D+00  0.913623D+01
                11            12            13            14            15 
      1  -0.532121D+01  0.794918D-01 -0.655661D+01 -0.615243D+01 -0.565470D+01
      2  -0.832891D+01  0.500620D+01 -0.106125D+02 -0.338637D+01  0.700787D+00
      3  -0.200633D+01  0.765574D+01  0.784334D+01  0.124778D+02  0.958462D+01
                16            17            18            19            20 
      1   0.124197D+01  0.413093D+01 -0.322228D+00  0.203626D+01  0.319868D+01
      2   0.318342D+01  0.155046D+01  0.296639D+01 -0.265437D+02 -0.145200D+01
      3   0.939856D+01  0.102142D+02 -0.853842D+00 -0.153871D+02 -0.436769D+01
                21            22            23            24            25 
      1  -0.142363D+01  0.599577D+01  0.353130D+01 -0.285655D+01 -0.310265D+01
      2  -0.204094D+00  0.126818D+00 -0.703892D+01  0.420361D+01 -0.157209D+02
      3  -0.336997D+01  0.695495D+01 -0.552084D+01  0.274555D+01 -0.282400D+01
                26            27            28            29            30 
      1   0.442667D+01 -0.413297D+01 -0.818046D+01  0.475146D+00 -0.408828D+00
      2   0.234283D+01 -0.279080D+00  0.292870D+02  0.556421D+01 -0.545400D+00
      3  -0.103227D+00 -0.172634D+01  0.163673D+02  0.789976D+01 -0.124979D+00
                31            32            33            34            35 
      1   0.567727D+01 -0.122929D+01 -0.302258D+01 -0.250015D+01  0.174610D+01
      2   0.123300D+02  0.340744D+01  0.167559D+00 -0.196040D+02 -0.164327D+01
      3   0.341775D+02  0.890237D+01  0.250784D+01 -0.554370D+00 -0.218161D+00
                36            37            38            39            40 
      1   0.350485D+01  0.818095D+01 -0.155413D+01  0.988101D+00 -0.706023D+01
      2   0.650032D-01 -0.209733D+02 -0.514628D+01  0.369984D+01 -0.119473D+02
      3   0.173854D+00 -0.226675D+02 -0.118895D+02 -0.908965D+00 -0.376771D+01
                41            42            43            44            45 
      1   0.313925D+00 -0.681435D+00  0.747211D+01  0.226639D+01 -0.706164D+00
      2  -0.376384D+01 -0.445122D+01 -0.132373D+02 -0.595296D+01 -0.112399D+02
      3  -0.360256D+01  0.197900D+01  0.155571D+01  0.260681D+01  0.333962D+01
                46            47            48            49            50 
      1  -0.687279D+01  0.884140D+01 -0.499946D+00  0.493219D+01 -0.678432D+01
      2   0.590801D+01  0.607982D+01 -0.612861D+01  0.350250D+01 -0.249154D+00
      3   0.140873D+02  0.163252D+02  0.341747D+00  0.238513D+02  0.614493D+01
                51            52            53            54            55 
      1  -0.141896D+02  0.668584D-01 -0.309841D+01  0.983147D+01  0.384632D+01
      2  -0.321343D+01 -0.184303D+02 -0.768605D+00  0.485990D+01 -0.447330D+01
      3  -0.276623D+01 -0.664172D+00  0.198369D+01  0.124866D+00 -0.112614D+02
                56            57            58            59            60 
      1  -0.215355D+01 -0.884961D+00  0.204864D+01  0.297270D+01  0.771551D+00
      2  -0.146744D+01  0.160552D+02 -0.383530D+01  0.272779D+01  0.714672D+01
      3  -0.186952D+02 -0.217881D+01 -0.136399D+02 -0.139545D+02 -0.427483D+01
                61            62            63            64            65 
      1   0.115657D+01  0.380740D+01 -0.326889D+01 -0.434127D+01  0.490558D+01
      2   0.377260D+01  0.292670D+01  0.145042D+02 -0.152319D+02  0.148211D+02
      3  -0.538295D+01 -0.100216D+02 -0.459115D+01  0.797270D+00 -0.591817D+01
                66            67            68            69            70 
      1  -0.502135D+01  0.710316D+01  0.203047D+01 -0.730322D+01 -0.723503D+01
      2  -0.135517D+01  0.138146D+02  0.114728D+02  0.292853D+00 -0.128420D+02
      3  -0.103519D+02  0.444307D+01 -0.990790D+01 -0.170909D+02 -0.110017D+02
                71            72            73            74            75 
      1  -0.102651D+01  0.378543D+01 -0.143723D+01  0.490456D+01 -0.561513D+01
      2   0.296778D+01  0.572225D+01  0.651029D+01  0.228208D+01  0.133367D+02
      3  -0.159002D+02  0.333541D+01 -0.263919D+01 -0.121449D+02  0.213363D+00
                76            77            78            79            80 
      1   0.198460D+01  0.282649D+01  0.446705D+01 -0.438482D+01  0.932579D+01
      2   0.458990D+00  0.390406D+01 -0.574231D+01  0.516589D+01 -0.740588D+01
      3  -0.589296D+01 -0.135451D+02 -0.931996D+01  0.165732D+01 -0.811825D+01
                81            82            83            84            85 
      1   0.488225D+00 -0.326030D+01 -0.118806D+02  0.815551D+01 -0.128927D+02
      2  -0.111634D+02  0.582881D+01  0.509841D+01 -0.292072D+01  0.745766D+01
      3   0.118734D+02  0.362272D+00 -0.944879D+01 -0.393896D+01  0.338531D+01
                86            87            88            89            90 
      1   0.901060D+00 -0.409084D+01  0.815547D+01  0.267789D+01 -0.526667D-02
      2   0.595404D+01  0.162371D+01 -0.436881D+01  0.324349D+01 -0.224974D+01
      3   0.153061D+02  0.542899D+01 -0.121847D+01  0.988277D+01 -0.986128D+01
                91            92            93            94            95 
      1   0.249962D+01 -0.615392D+01  0.312833D+01  0.149866D+01 -0.653633D+01
      2   0.233396D+01 -0.161524D+01  0.175207D+02 -0.183697D+00  0.914339D+01
      3   0.660961D+01 -0.104750D+02 -0.142474D+01 -0.117888D+01 -0.153741D+02
                96            97            98            99           100 
      1  -0.907452D+01 -0.465708D+00  0.326016D+01  0.337191D+01 -0.855889D+00
      2  -0.987094D+01  0.951117D+01 -0.714931D+01  0.179699D+01 -0.450289D+01
      3  -0.518183D+01 -0.109758D+01 -0.525597D+00  0.531931D+01  0.741414D+01
               101           102           103           104           105 
      1   0.177189D+01 -0.184152D+01  0.600441D+00  0.231696D-01 -0.148626D+01
      2  -0.434156D+00  0.468507D+01 -0.608274D+00 -0.683885D+00  0.124226D+01
      3  -0.588781D+01  0.110216D+01 -0.926053D+00 -0.827868D-01  0.319079D+00
               106           107           108           109           110 
      1  -0.118733D+01 -0.913682D-01 -0.754182D+00 -0.985804D+00 -0.160908D+01
      2   0.149591D+01  0.153383D+01  0.231265D+01  0.509539D+01 -0.146895D+01
      3   0.376742D+00  0.442887D+00 -0.431241D+00 -0.270282D+01  0.236383D+01
               111           112           113           114           115 
      1   0.252909D+01 -0.682536D+00 -0.866422D+00 -0.186556D+01  0.696992D+00
      2  -0.616371D+01 -0.718710D+00  0.376298D+01  0.410274D+01 -0.547644D+01
      3   0.242146D+01  0.265685D+01 -0.179057D+01 -0.284230D+01  0.204192D+01
               116           117           118           119           120 
      1   0.174576D+01 -0.783574D+01  0.969896D+00  0.277824D+00  0.962897D-01
      2   0.551477D+01  0.210355D+02 -0.220571D+01 -0.805864D+00  0.522451D-02
      3  -0.423417D+01 -0.620680D+01  0.514971D+00 -0.112013D+01 -0.255511D+00
               121           122           123           124           125 
      1   0.921604D+00  0.220481D+01  0.956151D+00 -0.297862D+00  0.452786D+01
      2  -0.196772D+01 -0.604887D+00 -0.176374D+01 -0.396169D+01 -0.947186D+00
      3   0.169986D+01  0.456393D+00  0.864488D+00 -0.807442D-01  0.533664D+00
               126           127           128           129           130 
      1   0.324672D+01 -0.619685D+00  0.330981D+01  0.191529D+01  0.191528D+01
      2  -0.609924D+01 -0.137363D+01  0.381807D+00  0.451689D+00 -0.394211D+00
      3   0.142485D+01 -0.954369D+01  0.965232D+01  0.449355D+00  0.939246D+01
               131           132           133           134           135 
      1  -0.521412D+01 -0.467814D+01  0.772396D-01 -0.243320D+01 -0.171889D+01
      2  -0.124178D+01  0.354197D+00 -0.797801D+00  0.153455D+01  0.604753D+00
      3  -0.182889D+02 -0.644623D+00  0.199019D+01 -0.384499D+01 -0.187719D+01
               136           137           138           139           140 
      1   0.338328D+01  0.161435D+01 -0.550307D+01  0.175507D+01  0.174058D+01
      2  -0.472415D+00 -0.137763D+01  0.433663D+01 -0.171297D+01 -0.225997D+01
      3   0.423120D+01 -0.140692D+01 -0.159243D+01  0.420361D+00 -0.326227D+01
               141           142           143           144           145 
      1  -0.255957D+01 -0.546873D+01 -0.972576D+00  0.958225D+01  0.178199D+01
      2   0.207086D+01  0.181007D+00  0.272969D+01 -0.643669D+01 -0.317202D+01
      3   0.569752D+00 -0.378482D+01  0.136061D+01  0.139507D+01 -0.445195D+01
               146           147           148           149           150 
      1   0.694628D+00  0.287038D+01  0.863508D-03 -0.132955D+01 -0.138592D+01
      2  -0.660555D+00  0.284247D+01  0.151344D+01  0.331939D+00 -0.938041D-01
      3  -0.238077D+01 -0.854154D+00  0.157679D+01  0.237241D+01  0.700685D-01
               151           152           153           154           155 
      1   0.154783D+01  0.414313D+00  0.435538D+01 -0.232034D+01 -0.454502D+01
      2  -0.213305D+01 -0.507232D+00  0.375109D+01  0.257521D+01  0.189118D+01
      3  -0.268921D+01 -0.157418D+00 -0.710307D+00  0.750933D+01  0.570824D+01
               156           157           158           159           160 
      1  -0.292920D+01 -0.328174D+01 -0.106680D+02 -0.519136D+01 -0.213886D+01
      2   0.189111D+00  0.137148D+01  0.270703D+01  0.171098D-01 -0.108242D+01
      3   0.846198D+00  0.722295D+01  0.137189D+02  0.150713D+01  0.316463D+01
               161           162           163           164           165 
      1  -0.350036D+01 -0.398843D+01  0.651318D+01 -0.449072D+01 -0.436360D+01
      2   0.250086D+00 -0.268136D+00  0.127194D+02 -0.243898D+01 -0.558745D+01
      3   0.531277D+01  0.233962D+01  0.608720D+01 -0.104713D+01 -0.338993D+01
               166           167           168           169           170 
      1  -0.445262D+01  0.335905D+01  0.168562D+01 -0.493112D+01  0.364588D+01
      2  -0.540912D+01  0.255982D+01  0.305931D+01 -0.877142D+01  0.189009D+01
      3   0.479253D+00  0.676306D+00  0.107341D+01 -0.327559D+01  0.163448D+01
               171           172           173           174           175 
      1   0.715377D+01  0.532430D+00  0.538732D+00 -0.891901D+00  0.114853D-01
      2   0.880538D+01 -0.204585D+01 -0.461482D+01 -0.258203D+01 -0.272083D+01
      3   0.341066D+01  0.478766D+01  0.612802D+01  0.397028D+01  0.316656D+01
               176           177           178           179           180 
      1   0.232812D+01 -0.249021D+01  0.603236D+00  0.123288D+01 -0.261535D+01
      2  -0.100576D+02 -0.719913D+01 -0.107597D+01 -0.747498D+01 -0.840159D+01
      3   0.198932D+02  0.991397D+01  0.214183D+01  0.987167D+01  0.711092D+01
               181           182           183           184           185 
      1   0.464493D+01 -0.207356D+01  0.337035D+01 -0.265043D+01  0.145759D+01
      2   0.117261D+02 -0.521601D+01  0.892056D+01 -0.447940D+01  0.224592D+01
      3  -0.804590D+00 -0.514207D+01  0.911705D+00 -0.279141D+01  0.480200D+01
               186           187           188           189           190 
      1  -0.175941D+01  0.296826D+01 -0.262243D+00  0.290428D+01 -0.250073D+01
      2  -0.291125D+01  0.758128D+01 -0.315181D+01  0.784419D+01 -0.187366D+01
      3   0.188114D+00  0.147005D+01 -0.264736D+01  0.233217D+00 -0.446810D+01
               191           192           193           194           195 
      1  -0.232811D+01  0.261380D+01 -0.239094D+01 -0.615637D+01  0.365781D+01
      2  -0.243419D+01  0.497481D+01 -0.274344D+01 -0.541959D+01  0.700129D+01
      3  -0.392648D+01  0.470736D+01 -0.305525D+01 -0.934310D+01  0.740194D+01
               196           197           198           199           200 
      1   0.366301D+01  0.607507D+01 -0.623847D+01 -0.523794D-01 -0.381603D+00
      2   0.422668D+01  0.420604D+01 -0.130920D+02 -0.136964D+00  0.214504D+00
      3   0.472871D+01  0.801002D+01 -0.708364D+01  0.808184D+00  0.563958D+00
               201           202           203           204           205 
      1   0.351409D+00 -0.392168D+01 -0.458838D+00 -0.208270D+01  0.146204D+01
      2  -0.102961D+00 -0.131799D+01 -0.132183D+01 -0.770140D+00 -0.334348D+01
      3   0.748936D+00  0.295990D+01 -0.215074D-01  0.136010D+00  0.167128D+01
               206           207           208           209           210 
      1   0.185502D+01 -0.351945D+01  0.783799D+00 -0.337108D+00 -0.577781D-01
      2  -0.515301D-01 -0.260257D+01  0.116680D+01 -0.271185D+00 -0.795162D-01
      3   0.831361D+00  0.419895D-01 -0.168210D+01 -0.441639D+00 -0.248189D+00
               211           212           213           214           215 
      1  -0.157706D+01  0.140783D+01  0.111810D-02  0.538710D+00  0.386116D+01
      2  -0.721939D-01  0.283942D+01  0.422625D+01 -0.357902D+01  0.356870D+01
      3   0.351884D+01 -0.189639D+01 -0.257543D+01 -0.477443D+00 -0.320319D+01
               216           217           218           219           220 
      1  -0.158052D+00  0.329448D+00  0.240466D+01  0.419480D+00 -0.692104D-01
      2   0.117249D+02 -0.165355D+01 -0.254386D+01 -0.288941D+01 -0.718017D+00
      3  -0.423162D+01  0.290321D+01  0.425109D+01  0.127415D+01  0.252687D+01
               221           222           223           224           225 
      1   0.119879D+02  0.114806D+01  0.153297D+01  0.692542D+00  0.605782D+00
      2  -0.676465D+01 -0.445225D+01 -0.125456D+01 -0.281678D+01 -0.316556D+01
      3   0.251866D+02  0.540586D+01  0.147068D+01  0.151633D+01  0.287386D+01
               226           227           228           229           230 
      1  -0.123418D+01  0.242056D+01 -0.336926D+01  0.295672D+00 -0.327773D+01
      2  -0.760971D+01  0.352823D+01 -0.110595D+02  0.289116D+01 -0.774611D+01
      3  -0.286284D+01  0.253204D+01 -0.132855D+01  0.225954D+01 -0.344897D+01
               231           232           233           234           235 
      1   0.419771D+01 -0.225755D+01  0.399462D+01 -0.541405D+01 -0.132058D+01
      2   0.969718D+01 -0.760006D+01  0.624752D+01 -0.192130D+02  0.224269D+01
      3   0.587335D+01 -0.105229D+01  0.407987D+01 -0.469890D+01 -0.399309D+01
               236           237           238           239           240 
      1  -0.183924D+01  0.711696D+00 -0.931662D+00  0.788952D-01 -0.429741D-01
      2   0.310520D+00  0.540481D+01 -0.138642D+00 -0.998050D+00  0.178632D+01
      3  -0.576969D+01  0.113953D+01 -0.262137D+01  0.364209D+00  0.152950D+01
               241           242           243 
      1   0.647677D+00  0.132525D+01 -0.801090D+00
      2   0.638631D+00  0.112767D+01 -0.218123D+01
      3   0.135303D+01  0.143428D+01 -0.160882D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.820202D+01  0.417294D+01 -0.583562D+01  0.178744D+01  0.640338D+01
      2   0.290528D+01 -0.179114D+02 -0.576361D+01 -0.139487D+02 -0.168461D+02
      3  -0.111073D+02  0.137384D+02  0.115992D+02  0.121612D+02  0.104428D+02
      4   0.110743D+02 -0.464958D+01  0.220930D+02 -0.231398D+01  0.543486D+01
      5  -0.173512D+02  0.177084D+02 -0.141381D+02  0.168872D+02  0.468121D+01
      6   0.131952D+02 -0.120355D+02  0.119597D+02 -0.828274D+01 -0.365881D+01
                 6             7             8             9            10 
      1   0.193852D+02 -0.627164D+01  0.199916D+02 -0.181506D+01 -0.213406D+01
      2  -0.129181D+02 -0.722317D+01 -0.160635D+02  0.750647D+01  0.651343D+01
      3  -0.646715D+01  0.134948D+02 -0.392811D+01 -0.569142D+01 -0.437937D+01
      4  -0.566230D+01  0.228573D+02 -0.786694D+01  0.372898D+01 -0.147061D+02
      5   0.656190D+01 -0.133623D+02  0.872079D+01 -0.739376D+01  0.104901D+02
      6   0.416644D+01  0.101475D+02  0.343031D+01  0.123842D+01 -0.111016D+02
                11            12            13            14            15 
      1  -0.211016D+01  0.784173D+01 -0.510967D+01 -0.898866D+01 -0.188713D+02
      2   0.372632D+01  0.556149D+00  0.331378D+01  0.109762D+02  0.682592D+01
      3  -0.161615D+01 -0.839788D+01  0.179589D+01 -0.198755D+01  0.120453D+02
      4  -0.109486D+01 -0.199381D+02  0.285861D+01 -0.256556D+02 -0.507014D+01
      5  -0.159808D+02 -0.338351D+01 -0.165654D+02 -0.152962D+02  0.180852D+01
      6   0.714997D+01 -0.389841D+01 -0.134297D+01 -0.203345D+01 -0.642201D+01
                16            17            18            19            20 
      1   0.647967D+01 -0.189177D+02 -0.282091D+01  0.397804D+02  0.100850D+02
      2   0.623742D+01  0.937965D+01 -0.254379D+01 -0.384110D+02 -0.134671D+02
      3  -0.127171D+02  0.953808D+01  0.536470D+01 -0.136946D+01  0.338205D+01
      4  -0.293982D+02 -0.204441D+01 -0.658546D+00  0.918960D+01 -0.989037D+01
      5  -0.603637D+01  0.919181D+00  0.176833D+01  0.166039D+02  0.496378D+01
      6  -0.423903D+01 -0.432540D+01  0.121132D+01  0.980345D+01 -0.212560D+00
                21            22            23            24            25 
      1   0.352674D+01  0.182518D+02  0.668865D+01  0.712780D+01 -0.339791D+00
      2  -0.370694D+01 -0.181337D+02 -0.123607D+02  0.242354D+01 -0.455211D+01
      3   0.180194D+00 -0.118044D+00  0.567204D+01 -0.955134D+01  0.489190D+01
      4   0.579462D+01 -0.307934D+02 -0.597235D+01 -0.394419D+01  0.131808D+02
      5   0.467922D+01  0.489664D+01  0.509246D+01  0.354321D+01  0.241237D+01
      6   0.315585D+01  0.750507D+01  0.632468D+01  0.727198D+00  0.286106D+01
                26            27            28            29            30 
      1   0.794266D+01  0.133595D+02 -0.121575D+03 -0.126119D+02 -0.662830D+01
      2  -0.569928D+00  0.614125D+01  0.827283D+02  0.822390D+01  0.656515D+01
      3  -0.737273D+01 -0.195007D+02  0.388464D+02  0.438800D+01  0.631546D-01
      4  -0.408920D+01  0.853756D+01 -0.147683D+02 -0.964685D+01 -0.242227D+00
      5   0.467474D+01  0.510753D+01 -0.375466D+02 -0.259065D+01 -0.122466D+02
      6  -0.476636D+00 -0.202502D+01 -0.172271D+02 -0.526205D+01 -0.479667D+00
                31            32            33            34            35 
      1  -0.351537D+02 -0.247890D+02  0.269547D+01 -0.311060D+02 -0.241120D+00
      2   0.254693D+02  0.220143D+02 -0.229856D+01  0.182848D+02 -0.202374D+01
      3   0.968438D+01  0.277476D+01 -0.396912D+00  0.128212D+02  0.226487D+01
      4  -0.962279D+01 -0.104986D+02  0.191114D+01 -0.704766D+01  0.113176D+01
      5  -0.102676D+02 -0.434360D+01  0.682208D-01 -0.117742D+02  0.203255D+01
      6  -0.515912D+01 -0.900215D+01  0.384993D+01 -0.216525D+01  0.927859D+00
                36            37            38            39            40 
      1  -0.107298D+02  0.176443D+03  0.283451D+02  0.196679D+02  0.303976D+02
      2   0.214771D+01 -0.108184D+03 -0.173710D+02 -0.134618D+02 -0.156099D+02
      3   0.858210D+01 -0.682592D+02 -0.109740D+02 -0.620611D+01 -0.147877D+02
      4   0.107281D+01  0.326939D+02  0.178935D+02  0.312552D+00  0.315967D+02
      5   0.191541D+01  0.579658D+02  0.467961D+01  0.135017D+02  0.405274D+01
      6  -0.494716D+01  0.191157D+02  0.576308D+01  0.717782D+00  0.100520D+02
                41            42            43            44            45 
      1   0.637780D+01  0.839292D+01  0.827516D+01  0.746302D+01  0.122694D+02
      2   0.130475D+01  0.191202D+01 -0.111652D+02 -0.236723D+01 -0.198824D+01
      3  -0.768255D+01 -0.103049D+02  0.289001D+01 -0.509579D+01 -0.102812D+02
      4   0.759373D+01  0.278843D+01 -0.807064D+01 -0.229491D+01 -0.908187D+01
      5   0.291817D+01 -0.104374D+02  0.153110D+02 -0.803304D+01 -0.105510D+02
      6   0.134799D+01  0.412338D+01  0.359936D-01  0.168874D+01 -0.891889D+01
                46            47            48            49            50 
      1  -0.169028D+03 -0.302595D+02 -0.355019D+02 -0.476965D+02 -0.172962D+02
      2   0.939530D+02  0.136613D+02  0.194872D+02  0.249673D+02  0.113862D+02
      3   0.750747D+02  0.165981D+02  0.160147D+02  0.227293D+02  0.591003D+01
      4  -0.515911D+02 -0.269242D+02 -0.990535D+01 -0.127586D+02 -0.106481D+02
      5  -0.727492D+02 -0.139423D+02 -0.274257D+02 -0.256422D+02 -0.299378D+01
      6  -0.188248D+02 -0.316946D+01 -0.540136D+01  0.741895D-02 -0.581423D+01
                51            52            53            54            55 
      1  -0.111645D+02 -0.359091D+02 -0.100966D+02 -0.179419D+02  0.178849D+03
      2   0.844819D+01  0.119208D+02 -0.333838D+00  0.135420D+02 -0.938948D+02
      3   0.271628D+01  0.239883D+02  0.104304D+02  0.439994D+01 -0.849545D+02
      4  -0.139101D+01 -0.182137D+02 -0.173284D+01  0.271179D+01  0.456059D+02
      5   0.117611D+01 -0.234952D+02  0.340525D+01  0.110053D+02  0.689932D+02
      6   0.163986D+01  0.291698D+01 -0.389537D+01 -0.334452D+01  0.100422D+02
                56            57            58            59            60 
      1   0.305077D+02  0.384098D+02  0.538828D+02  0.279116D+02  0.618429D+01
      2  -0.114193D+02 -0.241004D+02 -0.233490D+02 -0.574944D+01 -0.145277D+01
      3  -0.190885D+02 -0.143094D+02 -0.305337D+02 -0.221622D+02 -0.473152D+01
      4   0.342746D+02  0.989467D+01  0.534868D+02  0.344546D+02  0.173928D+02
      5   0.119503D+02  0.391950D+02  0.203130D+02  0.189881D+02  0.106275D+02
      6   0.597399D+01  0.422623D+01  0.104374D+02  0.846261D+01  0.974570D+01
                61            62            63            64            65 
      1   0.810251D+02  0.112013D+02  0.281547D+02 -0.278316D+02  0.157409D+02
      2  -0.498032D+02 -0.443112D+01 -0.252372D+02  0.863490D+01 -0.524280D+01
      3  -0.312219D+02 -0.677021D+01 -0.291749D+01  0.191967D+02 -0.104981D+02
      4   0.218852D+02  0.147869D+02  0.123575D+02  0.161844D+02 -0.874303D+00
      5   0.654132D+02  0.144245D+02  0.429326D+02 -0.190807D+02  0.236344D+02
      6   0.101177D+02  0.103387D+02  0.519655D+01  0.102305D+02 -0.109142D+02
                66            67            68            69            70 
      1  -0.150914D+02  0.959065D+01  0.101699D+02  0.323207D+02 -0.237473D+02
      2  -0.967971D+00  0.931952D+00 -0.641516D+01 -0.248596D+02  0.120953D+01
      3   0.160594D+02 -0.105226D+02 -0.375471D+01 -0.746114D+01  0.225377D+02
      4   0.285030D+02 -0.585185D+01  0.102139D+02  0.106138D+02  0.340602D+02
      5  -0.572562D+00  0.240736D+02  0.157417D+02 -0.120549D+02 -0.376893D+01
      6  -0.461703D+01 -0.687377D+01 -0.116727D+02 -0.652667D+01 -0.310845D+01
                71            72            73            74            75 
      1   0.339201D+02 -0.498332D+01 -0.450281D+02 -0.160183D+02 -0.128824D+02
      2  -0.252859D+02  0.586983D+01  0.186967D+02  0.727855D+01 -0.223342D+01
      3  -0.863414D+01 -0.886504D+00  0.263314D+02  0.873979D+01  0.151158D+02
      4   0.777790D+01 -0.487968D+01 -0.220685D+02  0.109794D+00 -0.287166D+01
      5  -0.919654D+01  0.968559D+01 -0.146403D+02 -0.338582D+01  0.988512D+01
      6  -0.682423D+01  0.247468D+00 -0.274960D+01 -0.186640D+01  0.839756D+01
                76            77            78            79            80 
      1  -0.141425D+02  0.785420D+01 -0.299778D+01 -0.406190D+01 -0.118261D+01
      2   0.106071D+02 -0.905812D+00  0.104424D+02 -0.513366D+01  0.718250D+01
      3   0.353544D+01 -0.694839D+01 -0.744463D+01  0.919556D+01 -0.599989D+01
      4   0.936610D+01  0.284473D+02  0.103982D+02 -0.906472D-01  0.331313D+01
      5  -0.463551D+01  0.175335D+02 -0.838664D+01  0.126764D+02 -0.779762D+01
      6   0.348798D+01  0.104880D+02 -0.155634D+01  0.719189D+01 -0.370436D+01
                81            82            83            84            85 
      1   0.224459D+02 -0.788344D+01 -0.117369D+02 -0.835646D+01 -0.147733D+02
      2  -0.493016D+01  0.132954D+02  0.275898D+02  0.101514D+02  0.265406D+02
      3  -0.175157D+02 -0.541194D+01 -0.158529D+02 -0.179499D+01 -0.117673D+02
      4  -0.360950D+01  0.627907D+01  0.919876D+01  0.933782D+01  0.195352D+02
      5  -0.762155D+01  0.122265D+01  0.919835D+01 -0.167628D+02  0.642641D+01
      6  -0.968671D+01  0.697563D+00  0.857311D+01 -0.150213D+02  0.172448D+01
                86            87            88            89            90 
      1   0.113151D+02  0.660518D+01 -0.225739D+02  0.758320D+01 -0.117044D+02
      2  -0.116869D+02 -0.591720D+01  0.232297D+02 -0.560219D+01  0.851053D+01
      3   0.371797D+00 -0.687986D+00 -0.655782D+00 -0.198101D+01  0.319392D+01
      4   0.117669D+02  0.513958D+01  0.154007D+02  0.115786D+02 -0.989106D+01
      5  -0.344484D+01 -0.113727D+01 -0.238104D+02 -0.580043D+01  0.601550D+01
      6  -0.539287D+01 -0.168140D+01 -0.187301D+02 -0.339634D+01  0.623379D+01
                91            92            93            94            95 
      1  -0.546957D+02 -0.344948D+01  0.323192D+02 -0.110206D+02  0.237204D+02
      2   0.339806D+02 -0.361157D+01 -0.968034D+01  0.334413D+01 -0.185456D+02
      3   0.207151D+02  0.706105D+01 -0.226389D+02  0.767646D+01 -0.517481D+01
      4  -0.213449D+01  0.149745D+02  0.338889D-01  0.104275D+02  0.235566D+02
      5   0.301696D+02  0.192024D+01  0.835491D+01  0.579906D+01  0.384708D+01
      6   0.201499D+01 -0.701878D+01  0.129769D+01 -0.466283D+01 -0.102748D+02
                96            97            98            99           100 
      1  -0.287883D+01  0.184642D+02 -0.475197D+01  0.159734D+02  0.816553D+02
      2  -0.942263D+01 -0.322373D+01 -0.317064D+01 -0.797517D+01 -0.393330D+02
      3   0.123015D+02 -0.152404D+02  0.792261D+01 -0.799822D+01 -0.423223D+02
      4   0.670879D+01  0.262250D+01  0.225818D+01 -0.127668D+02  0.356762D+02
      5  -0.122873D+02  0.142778D+02 -0.109380D+02 -0.100095D+02  0.246720D+02
      6  -0.390109D+01 -0.784387D+00  0.119412D+01  0.101985D+02  0.755035D+01
               101           102           103           104           105 
      1   0.152422D+02  0.132146D+02  0.738749D+01  0.836809D+01  0.111061D+01
      2  -0.399205D+01 -0.791100D+01 -0.215338D+00 -0.346185D+00 -0.109031D+01
      3  -0.112501D+02 -0.530356D+01 -0.717215D+01 -0.802190D+01 -0.203058D-01
      4   0.198533D+02  0.751588D+01  0.165040D+02  0.811306D+01  0.279393D+01
      5   0.628376D+01  0.138384D+02  0.325864D+01  0.235012D+01  0.269556D+01
      6   0.427194D+01  0.395902D+01  0.331075D+01  0.693620D+00  0.289716D+01
               106           107           108           109           110 
      1   0.438568D+01  0.116632D+01  0.603149D+01 -0.162897D+00  0.587624D+01
      2  -0.369084D+01 -0.243200D+01 -0.513900D+01 -0.223613D+01 -0.349966D+01
      3  -0.694843D+00  0.126568D+01 -0.892491D+00  0.239903D+01 -0.237659D+01
      4   0.296155D+01  0.307120D+00  0.580641D+01  0.206960D+01 -0.155953D+01
      5   0.125427D+02  0.460406D+01  0.726978D+01  0.326526D+01  0.250886D+00
      6   0.349441D+01  0.276973D+01  0.345906D+01  0.403178D+01 -0.315612D+01
               111           112           113           114           115 
      1   0.107904D+02  0.270504D+01 -0.791899D+01 -0.524307D+01  0.706303D+01
      2  -0.427683D+00 -0.200670D+01  0.328780D+01  0.199976D+01 -0.307021D+01
      3  -0.103627D+02 -0.698341D+00  0.463119D+01  0.324330D+01 -0.399283D+01
      4   0.156334D+01  0.133108D+01  0.171732D+01  0.426409D+01  0.322276D+01
      5  -0.305274D+01  0.137090D+01  0.311474D+01  0.593686D+01  0.433280D+01
      6  -0.585183D+01 -0.945381D+00  0.621986D+01  0.107779D+02  0.201330D+00
               116           117           118           119           120 
      1  -0.745235D+01 -0.239206D+02  0.173048D+00 -0.504914D+00 -0.228487D+01
      2   0.133094D+01 -0.865491D+01 -0.423453D+01  0.152409D+00  0.107792D+00
      3   0.612140D+01  0.325755D+02  0.406148D+01  0.352504D+00  0.217708D+01
      4   0.780380D+01  0.764005D+01 -0.170229D+01  0.271850D+01  0.221385D+00
      5   0.896824D+01  0.290783D+02 -0.974561D+00  0.128060D+01  0.616818D+01
      6   0.114188D+02  0.222719D+02  0.145159D+01  0.188455D+00 -0.194795D-01
               121           122           123           124           125 
      1   0.362226D+00 -0.640498D+01 -0.511496D+01 -0.142722D+01 -0.279972D+01
      2  -0.230831D+00  0.159303D+01 -0.224070D+01  0.162490D+01 -0.243882D+01
      3  -0.131394D+00  0.481195D+01  0.735567D+01 -0.197671D+00  0.523854D+01
      4   0.249626D+01 -0.242319D+01 -0.242157D+01 -0.546829D-01 -0.279056D+01
      5   0.202307D+01 -0.253342D+01 -0.314073D+01  0.525468D+01 -0.252906D+01
      6  -0.385999D+00  0.239357D+01  0.677205D+01 -0.687998D+00  0.558875D+01
               126           127           128           129           130 
      1  -0.240136D+02 -0.850666D+01  0.184616D+02  0.778390D+00  0.109288D+02
      2  -0.125632D+02  0.111061D+02 -0.260763D+02 -0.158390D+01 -0.141632D+02
      3   0.365768D+02 -0.259946D+01  0.761471D+01  0.805511D+00  0.323434D+01
      4  -0.431750D+01 -0.511082D+01  0.296382D+01 -0.717145D+00  0.548559D+01
      5  -0.122934D+02  0.368050D+00 -0.112255D+01  0.165131D+01 -0.814944D+00
      6   0.211400D+01  0.202931D+00 -0.141474D+00 -0.190062D+01  0.183343D+00
               131           132           133           134           135 
      1  -0.355870D+02 -0.795711D+00  0.381372D+01 -0.571003D+01 -0.455970D+01
      2   0.549297D+02  0.210672D+01 -0.361564D+01  0.901322D+01  0.572628D+01
      3  -0.193428D+02 -0.131101D+01 -0.198086D+00 -0.330319D+01 -0.116658D+01
      4   0.835468D+01 -0.266078D+00  0.251362D+00  0.109048D+01  0.214431D+01
      5   0.507281D+00  0.222588D+01  0.335134D+01  0.288358D+01  0.381041D-01
      6  -0.411393D+00  0.708649D+01  0.427348D+00  0.884581D+01  0.165752D+01
               136           137           138           139           140 
      1   0.114523D+02  0.181838D+01 -0.263618D+01  0.283148D+01 -0.558146D+01
      2  -0.503038D+01  0.124566D+01  0.970423D+00 -0.334975D+00  0.938394D+01
      3  -0.642196D+01 -0.306404D+01  0.166575D+01 -0.249651D+01 -0.380248D+01
      4   0.173274D+02  0.133186D+02 -0.114036D+02  0.994874D+01  0.120160D+02
      5  -0.173055D+02 -0.960430D+01  0.173282D+02 -0.580594D+01 -0.917127D+01
      6  -0.106107D+02 -0.865753D+01  0.117311D+02 -0.667033D+01 -0.105783D+02
               141           142           143           144           145 
      1   0.274876D+01  0.225969D-01  0.586150D+01 -0.566789D+01  0.152373D+02
      2  -0.440716D+01 -0.567208D+00 -0.657774D+01 -0.268452D+01 -0.105749D+02
      3   0.165840D+01  0.544611D+00  0.716233D+00  0.835241D+01 -0.466239D+01
      4  -0.949855D+01 -0.160486D+02 -0.149979D+02  0.152812D+02 -0.246472D+02
      5   0.769329D+01  0.205371D+02  0.137724D+02 -0.255108D+02  0.269061D+02
      6   0.976030D+01  0.150800D+02  0.161817D+02 -0.229250D+02 -0.133134D+02
               146           147           148           149           150 
      1  -0.138658D+01  0.260722D+01 -0.815296D+00 -0.301041D+01  0.155183D+01
      2  -0.774398D+00 -0.602956D+01 -0.100803D+01  0.686487D+01 -0.142658D+01
      3   0.216098D+01  0.342235D+01  0.182333D+01 -0.385445D+01 -0.125257D+00
      4   0.182124D+02 -0.162830D+02  0.135761D+02 -0.142615D+02  0.103125D+02
      5  -0.138266D+02  0.231247D+02 -0.917799D+01  0.939927D+01 -0.834025D+01
      6   0.124679D+02 -0.138630D+02  0.918956D+01 -0.108419D+02  0.100738D+02
               151           152           153           154           155 
      1   0.335781D+01  0.177510D+01 -0.315964D+01 -0.667431D+01 -0.108886D+02
      2  -0.615577D+01  0.583107D+00 -0.800967D+01  0.831693D+01  0.164920D+02
      3   0.279796D+01 -0.235821D+01  0.111693D+02 -0.164262D+01 -0.560334D+01
      4  -0.137546D+02  0.103714D+02 -0.137321D+02  0.217095D+01  0.332877D+01
      5   0.201613D+02 -0.116251D+02  0.230436D+02 -0.124882D+01 -0.453577D+01
      6  -0.114016D+02  0.113161D+02 -0.164521D+02 -0.158290D+01 -0.159807D+01
               156           157           158           159           160 
      1   0.832812D+00 -0.702820D+01 -0.248410D+02 -0.182636D+01 -0.176438D+01
      2   0.220537D+01  0.106651D+02  0.416340D+02  0.582573D+01  0.349982D+01
      3  -0.303818D+01 -0.363685D+01 -0.167930D+02 -0.399937D+01 -0.173544D+01
      4  -0.115337D+01  0.453824D+01 -0.883565D+01  0.564836D+00  0.101996D+00
      5   0.918840D+00 -0.443304D+01 -0.523925D+01 -0.369676D+01  0.614203D+00
      6   0.184483D+01 -0.430888D+00 -0.575243D+01  0.586240D+01  0.570211D+00
               161           162           163           164           165 
      1  -0.874273D+01 -0.326569D+01 -0.763599D+01 -0.210500D+01  0.106410D+02
      2   0.143955D+02  0.510125D+01 -0.482192D+01  0.561101D+01  0.429175D+01
      3  -0.565274D+01 -0.183556D+01  0.124579D+02 -0.350601D+01 -0.149328D+02
      4  -0.335599D+01 -0.842020D+00  0.689770D+01 -0.130944D+01 -0.587172D+01
      5  -0.348047D+01 -0.242275D+01 -0.459047D+01 -0.663749D+00  0.350818D+01
      6   0.383553D+01  0.401959D+01 -0.225074D+01 -0.245970D+01  0.361585D+01
               166           167           168           169           170 
      1   0.155081D+01 -0.281742D+01 -0.591237D+01  0.854569D+01 -0.222079D+01
      2   0.394078D+01 -0.426646D+00 -0.219082D+01  0.458847D+01 -0.174627D+01
      3  -0.549158D+01  0.324406D+01  0.810320D+01 -0.131342D+02  0.396706D+01
      4  -0.265740D+01  0.316295D+01  0.179078D+01 -0.677653D+01  0.207475D+01
      5   0.332122D+00 -0.110731D+01  0.179181D+01  0.506124D+01 -0.115121D+01
      6  -0.216468D+01  0.309327D+01  0.120454D+01  0.174802D+01  0.356135D+01
               171           172           173           174           175 
      1  -0.155997D+02 -0.435837D+01 -0.127768D+02 -0.525459D+01 -0.917790D+01
      2  -0.926934D+01  0.397466D+01  0.100969D+02  0.286589D+01  0.383248D+01
      3   0.248691D+02  0.383715D+00  0.267983D+01  0.238870D+01  0.534542D+01
      4   0.479865D+01 -0.143934D+01 -0.352885D+01 -0.406414D+01  0.756068D+01
      5   0.205801D+01  0.207181D+01 -0.326632D+01 -0.235768D+01  0.202504D+01
      6  -0.641641D+01  0.194849D+01  0.650670D+01  0.507652D+01 -0.271296D+00
               176           177           178           179           180 
      1  -0.228517D+02 -0.137121D+02 -0.187332D+01 -0.142974D+02 -0.107792D+02
      2   0.267543D+02  0.102499D+02  0.163684D+01  0.993538D+01  0.364838D+01
      3  -0.390264D+01  0.346225D+01  0.236481D+00  0.436202D+01  0.713078D+01
      4  -0.291454D+02 -0.135851D+02  0.110012D+00 -0.130519D+02 -0.962059D+01
      5  -0.136573D+02 -0.101790D+02  0.417360D+01 -0.970931D+01 -0.135023D+02
      6   0.209549D+02  0.148211D+02 -0.674248D-01  0.147451D+02  0.134762D+02
               181           182           183           184           185 
      1   0.699656D+02 -0.189484D+02  0.138149D+02 -0.161976D+02  0.950907D+01
      2  -0.281394D+02  0.370061D+01 -0.404934D+01  0.138872D+01  0.113338D+01
      3  -0.418262D+02  0.152478D+02 -0.976557D+01  0.148089D+02 -0.106424D+02
      4  -0.365230D+02  0.200665D+02 -0.882788D+01  0.224072D+02 -0.174103D+02
      5   0.874327D+01 -0.428565D+01  0.119917D+02 -0.412444D+01  0.154053D+01
      6  -0.358603D+01  0.161540D+01 -0.351878D+01  0.132225D+01  0.998624D-01
               186           187           188           189           190 
      1  -0.546515D+01  0.286620D+02 -0.960526D+01  0.118398D+02  0.190984D+02
      2   0.159509D+01 -0.985932D+01  0.210032D+01 -0.523150D+01 -0.136553D+02
      3   0.387005D+01 -0.188026D+02  0.750494D+01 -0.660833D+01 -0.544313D+01
      4   0.421954D+01 -0.190206D+02  0.110741D+02 -0.727662D+01  0.280041D+01
      5  -0.275119D+01  0.135316D+02 -0.420147D+01  0.122119D+02 -0.142162D+02
      6   0.343800D+01 -0.446136D+01  0.362076D+01 -0.506264D+01 -0.135299D+01
               191           192           193           194           195 
      1   0.491847D+01 -0.928190D+01  0.133089D+02  0.344265D+01 -0.888301D+01
      2  -0.480003D+01  0.103043D+02 -0.107357D+02 -0.536521D+01  0.121962D+02
      3  -0.118434D+00 -0.102236D+01 -0.257323D+01  0.192256D+01 -0.331315D+01
      4   0.550576D+01 -0.579402D+01  0.605663D+01  0.138983D+02 -0.969794D+01
      5  -0.825448D+01  0.151337D+02 -0.145279D+02 -0.118158D+02  0.172870D+02
      6  -0.189852D+00  0.229397D+00 -0.473177D+00 -0.378471D+01  0.335619D+01
               196           197           198           199           200 
      1  -0.107741D+02 -0.625281D+01  0.780225D+01 -0.105059D+01 -0.154095D+01
      2   0.134770D+02  0.964513D+01 -0.189204D+02  0.179788D+01  0.135255D+01
      3  -0.270298D+01 -0.339232D+01  0.111181D+02 -0.747283D+00  0.188401D+00
      4  -0.580202D+01 -0.101403D+02  0.745659D+01 -0.986941D+00  0.124706D+01
      5   0.215287D+02  0.110064D+02 -0.326007D+02 -0.301730D+01  0.106254D+01
      6  -0.475685D+00  0.473967D+01  0.606564D+00  0.826060D+00  0.249995D-01
               201           202           203           204           205 
      1  -0.192697D+01 -0.146578D+01 -0.135848D+01 -0.422875D+01 -0.282763D+01
      2   0.155311D+01 -0.162742D+01  0.124678D+01  0.231931D+01  0.227295D+01
      3   0.373861D+00  0.309320D+01  0.111703D+00  0.190944D+01  0.554680D+00
      4   0.183496D+01  0.810049D+00 -0.892113D+00 -0.210039D+01  0.270222D+01
      5   0.371695D+01  0.943137D+00 -0.624593D+00 -0.229416D+01  0.382387D+01
      6  -0.367985D+00 -0.648506D+00  0.361992D+01  0.353420D+01  0.140103D+00
               206           207           208           209           210 
      1  -0.468751D+01 -0.816875D+01 -0.203522D+00  0.159103D+01  0.360911D+01
      2   0.360689D+01  0.113148D+01 -0.221325D+01 -0.834486D+00 -0.115603D+01
      3   0.108062D+01  0.703727D+01  0.241677D+01 -0.756547D+00 -0.245307D+01
      4  -0.209038D+01 -0.405635D+01  0.177177D+01  0.178809D+01  0.173715D+01
      5  -0.327150D+01 -0.687193D+01  0.354734D+01  0.206354D+01  0.574682D+01
      6   0.434563D+01  0.670064D+01  0.225192D+01 -0.230829D+00  0.380142D+00
               211           212           213           214           215 
      1   0.213037D+01 -0.656118D+01 -0.786258D+01  0.288976D+01 -0.744952D+01
      2  -0.298253D+01  0.169234D+01 -0.459224D-01 -0.258025D+01  0.854003D+00
      3   0.852159D+00  0.486884D+01  0.790850D+01 -0.309509D+00  0.659551D+01
      4  -0.402430D+00  0.335860D+01  0.383388D+01  0.223800D+01  0.422787D+01
      5   0.298186D+01  0.461443D+01  0.814254D+01  0.466264D+01  0.646895D+01
      6  -0.648952D+00  0.555346D+01  0.669927D+01  0.152996D+01  0.764018D+01
               216           217           218           219           220 
      1  -0.233869D+02  0.266568D+01 -0.891363D+01 -0.615602D+01 -0.991685D+01
      2  -0.649572D+01  0.397770D+00  0.680469D+01  0.157454D+01  0.537965D+01
      3   0.298826D+02 -0.306345D+01  0.210895D+01  0.458148D+01  0.453721D+01
      4   0.537640D+01 -0.374005D+01 -0.295674D+01 -0.105080D+01  0.556293D+01
      5   0.216067D+02 -0.155618D+01  0.715011D+00 -0.352674D+01  0.680726D+01
      6   0.919686D+01  0.229045D+01  0.363858D+01  0.165043D+01 -0.108754D+01
               221           222           223           224           225 
      1  -0.212654D+02 -0.358779D+01 -0.452432D+01 -0.306025D+01 -0.726276D+01
      2   0.282603D+02  0.225023D+01  0.187561D+01  0.360358D-01  0.311450D+01
      3  -0.699487D+01  0.133756D+01  0.264871D+01  0.302421D+01  0.414826D+01
      4  -0.432509D+02 -0.102008D+02 -0.816271D+00 -0.292829D+01 -0.466832D+01
      5  -0.765342D+01 -0.105945D+02  0.522735D-01 -0.453068D+01 -0.298434D+01
      6   0.196475D+02  0.961996D+01 -0.191285D+00  0.690505D+01  0.302491D+01
               226           227           228           229           230 
      1  -0.584127D+01  0.678993D+01 -0.163650D+02  0.799598D+01 -0.122422D+02
      2  -0.937070D+00 -0.149657D+01  0.476246D+00 -0.351863D+01  0.438952D+01
      3   0.677834D+01 -0.529336D+01  0.158888D+02 -0.447735D+01  0.785271D+01
      4   0.422663D+01 -0.540300D+01  0.134970D+01 -0.235613D+01  0.557327D+01
      5  -0.125623D+01 -0.563817D+00 -0.789777D+01 -0.321940D+01 -0.653542D+01
      6  -0.304598D+01  0.442240D+01 -0.234185D+01  0.244304D+01 -0.601681D+01
               231           232           233           234           235 
      1   0.853125D+01 -0.159208D+02  0.737042D+01 -0.230370D+02  0.832515D+02
      2   0.321489D+01  0.521613D+01  0.160867D+01 -0.716278D+01 -0.467180D+02
      3  -0.117461D+02  0.107047D+02 -0.897909D+01  0.301998D+02 -0.365335D+02
      4  -0.843824D+01  0.264665D+01 -0.788261D+01  0.785390D+01 -0.740277D+01
      5   0.122672D+02  0.131947D+01  0.627055D+01 -0.226019D+02 -0.437101D+02
      6   0.879019D+01 -0.180382D+01  0.665833D+01 -0.659502D+01 -0.736889D-02
               236           237           238           239           240 
      1  -0.768930D+00 -0.221514D+02  0.462192D+01  0.699574D+01 -0.848006D+00
      2  -0.203829D+00  0.161122D+02 -0.298684D+01 -0.268854D+01  0.193673D+01
      3   0.972759D+00  0.603915D+01 -0.163508D+01 -0.430720D+01 -0.108872D+01
      4   0.115202D+02  0.203815D+01  0.113320D+02 -0.152135D+01 -0.468027D+01
      5   0.418705D+00  0.241993D+02 -0.297628D+01 -0.591236D+01  0.347437D+01
      6  -0.368401D+01 -0.960730D+00 -0.383956D+01  0.442572D+00  0.271942D+01
               241           242           243 
      1  -0.137134D+02  0.454976D+00  0.105552D+02
      2   0.117159D+02  0.633522D+00 -0.100194D+02
      3   0.199754D+01 -0.108850D+01 -0.535804D+00
      4   0.852937D+00 -0.252961D+01  0.634823D+00
      5   0.193332D+02  0.126016D+01 -0.135971D+02
      6  -0.119906D+01  0.200656D+01 -0.372743D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129613D+03      0.192066D+02      0.213703D+02
   aniso      0.603771D+02      0.894696D+01      0.995484D+01
   xx         0.168124D+03      0.249134D+02      0.277199D+02
   yx         0.714699D+01      0.105907D+01      0.117838D+01
   yy         0.109136D+03      0.161723D+02      0.179942D+02
   zx         0.577565D+01      0.855862D+00      0.952275D+00
   zy         0.410718D+01      0.608621D+00      0.677183D+00
   zz         0.111578D+03      0.165341D+02      0.183967D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129613D+03      0.192066D+02      0.213703D+02
   aniso      0.603771D+02      0.894696D+01      0.995484D+01
   xx         0.118335D+03      0.175355D+02      0.195109D+02
   yx        -0.383759D+01     -0.568673D+00     -0.632734D+00
   yy         0.107189D+03      0.158838D+02      0.176731D+02
   zx         0.172474D+02      0.255580D+01      0.284371D+01
   zy        -0.447889D+01     -0.663704D+00     -0.738470D+00
   zz         0.163314D+03      0.242006D+02      0.269268D+02

 ----------------------------------------------------------------------
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 WE STILL HAVE JUDGEMENT HERE,
 THAT WE TEACH BUT BLOODY INSTRUCTIONS,
 WHICH, BEING TAUGHT,
 RETURN TO PLAGUE THE INVENTOR.
           MACBETH ACT I, SCENE VII
 Job cpu time:       0 days 10 hours 18 minutes 19.7 seconds.
 Elapsed time:       0 days  1 hours 18 minutes  0.7 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:05:09 2021.
